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Phenyloxadiazoles

Description:

Polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Azoles ⮕ Oxadiazoles ⮕ 1,2,4-oxadiazoles ⮕ Phenyloxadiazoles
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Items 37-48 of 166

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  1. 2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol
    Cas Number: 79349-24-9        Compound CID:  779192
    Formula:  C14H10N2O2        Molecular Weight: 238.24
    IUPAC Name:  2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
    SMILES:  C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3O
    InChIKey: VNCIJMRFIRKERM-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H10N2O2/c17-12-9-5-4-8-11(12)14-15-13(16-18-14)10-6-2-1-3-7-10/h1-9,17H
    Synonyms: 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol | 5-(2-hydroxyphenyl)-3-phenyl-1,2,4-oxadiazole | Phenol, 2-(3-phenyl-1,2,4-o...
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  2. ASP-4058
    Cas Number: 952565-91-2        Compound CID:  16755143
    Formula:  C19H12F6N4O2        Molecular Weight: 442.31
    IUPAC Name:  3-(3H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazole
    SMILES:  CC(C(F)(F)F)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N=CN4)C(F)(F)F
    InChIKey: NJNXCJPSMWKXHO-VIFPVBQESA-N
    InChI:  InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1
    Synonyms: ASP-4058 free base | HY-111021 | 1H-Benzimidazole, 6-(5-(3-(trifluoromethyl)-4-((1S)-2,2,2-trifluoro-1-methylethoxy)p...
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  3. Ozanimod hydrochloride
      Grade & Purity: 
    • ≥99%
    Cas Number: 1618636-37-5        Compound CID:  91618104
    Formula:  C23H25ClN4O3        Molecular Weight: 440.92
    IUPAC Name:  5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
    SMILES:  CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NCCO)C#N.Cl
    InChIKey: HAOOCAKHSFYDBU-BDQAORGHSA-N
    InChI:  InChI=1S/C23H24N4O3.ClH/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28;/h3-6,9,12,14,20,25,28H,7-8,10-1show more
    Synonyms: Ozanimod hydrochloride | HY-12288A | Ozanimod hcl | Ozanimod hydrochloride [USAN] | (S)-4-(5-(3-cyano-4-isopropoxyphe...
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  4. ASP-4058 hydrochloride
      Grade & Purity: 
    • ≥99%
    Cas Number: 952510-14-4        Compound CID:  16755142
    Formula:  C19H13ClF6N4O2        Molecular Weight: 478.78
    SMILES:  C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N=CN4)C(F)(F)F.Cl
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  5. ethyl 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1258269-03-2        Compound CID:  86711474
    Formula:  C12H9N2O4F3        Molecular Weight: 302.21
    IUPAC Name:  ethyl 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxylate
    SMILES:  CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)OC(F)(F)F
    InChIKey: ZXBUAPSNJVMKFJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H9F3N2O4/c1-2-19-11(18)10-16-9(17-21-10)7-3-5-8(6-4-7)20-12(13,14)15/h3-6H,2H2,1H3
    Synonyms: 1258269-03-2 | ethyl 3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole-5-carboxylate | ethyl 3-[4-(trifluoromethoxy)phe...
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  6. Icanbelimod
    Cas Number: 1514888-56-2
    Formula:  C23H24FN3O3        Molecular Weight: 409.45
    IUPAC Name:  1-[[2-fluoro-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
    SMILES:  Fc1c(ccc(c1)c1noc(n1)c1ccc(cc1)CC(C)C)CN1CC(C1)C(=O)O
    InChIKey: YBIFMTGYWXNIRZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C23H24FN3O3/c1-14(2)9-15-3-5-16(6-4-15)22-25-21(26-30-22)17-7-8-18(20(24)10-17)11-27-12-19(13-27)23(28)29/h3-8,10,14,19H,9,11-13H2,1-2H3,(H,2show more
    Synonyms: 3-Azetidinecarboxylic acid, 1-((2-fluoro-4-(5-(4-(2-methylpropyl)phenyl)-1,2,4-oxadiazol-3-yl)phenyl)methyl)- | GTPL1...
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  7. SLC4101431
    IUPAC Name:  (S)-(2-((3-(4-((4-([1,1′-Biphenyl]-4-yl)thiazol-2-yl)amino)phenyl)-1,2,4-oxadiazol-5-yl)methyl)pyrrolidin-1-yl) (amino)methaniminium
    SMILES:  NC(=N)N1CCC[C@H]1Cc1onc(n1)c1ccc(cc1)Nc1scc(n1)c1ccc(cc1)c1ccccc1
    InChIKey: PDCYPMBTPMGZDZ-DEOSSOPVSA-N
    InChI:  InChI=1S/C29H27N7OS/c30-28(31)36-16-4-7-24(36)17-26-34-27(35-37-26)22-12-14-23(15-13-22)32-29-33-25(18-38-29)21-10-8-20(9-11-21)19-5-2-1-3-6-19/h1-3,5show more
    Synonyms: compound 20dd
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  8. SLM6071469
    IUPAC Name:  (2S)-2-[3-[3-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
    SMILES:  NC(=N)N1CCC[C@H]1c1onc(n1)c1ccc(c(c1)C(F)(F)F)OCc1ccc(cc1)C(F)(F)F
    InChIKey: QOYVZPSXPWIXAV-INIZCTEOSA-N
    InChI:  InChI=1S/C22H19F6N5O2/c23-21(24,25)14-6-3-12(4-7-14)11-34-17-8-5-13(10-15(17)22(26,27)28)18-31-19(35-32-18)16-2-1-9-33(16)20(29)30/h3-8,10,16H,1-2,9,1show more
    Synonyms: compound 10
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  9. LSN2814617
    IUPAC Name:  5-[(7S)-3-tert-butyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
    SMILES:  Fc1ccc(cc1)c1noc(n1)[C@H]1CCn2c(C1)nnc2C(C)(C)C
    InChIKey: NPRJTKMKUYJGAL-LBPRGKRZSA-N
    InChI:  InChI=1S/C18H20FN5O/c1-18(2,3)17-22-21-14-10-12(8-9-24(14)17)16-20-15(23-25-16)11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1
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  10. cenerimod
    IUPAC Name:  (2S)-3-[4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
    SMILES:  OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O
    InChIKey: KJKKMMMRWISKRF-FQEVSTJZSA-N
    InChI:  InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-1show more
    Synonyms: DB12705 | UNII-Y333RS1786 | (2S)-3-(4-(5-(2-Cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methyl...
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  11. RP-101075
    SMILES:  N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N
    InChIKey: WGUXQKIWMYYPQI-SFHVURJKSA-N
    InChI:  InChI=1S/C21H20N4O2/c1-12(2)26-19-9-6-13(10-14(19)11-22)21-24-20(25-27-21)17-5-3-4-16-15(17)7-8-18(16)23/h3-6,9-10,12,18H,7-8,23H2,1-2H3/t18-/m0/s1
    Synonyms: RP101075|RP-101075|EK8WS2OJX0|1306760-73-5|UNII-EK8WS2OJX0|(S)-5-(3-(1-amino-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiaz...
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  12. CYM5181
    IUPAC Name:  4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
    SMILES:  CCOc1cc(ccc1OCC)c1onc(n1)c1ccncc1
    InChIKey: MMKXHTDCKLZHIM-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H17N3O3/c1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12/h5-11H,3-4H2,1-2H3
    Synonyms: CYM-5181
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