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Oxadiazoles
Description:
Organic compounds containing an oxadiazole ring, which is a five-member aromatic heterocycle with two nitrogen atoms, an oxygen atom, and a carbon atom.
Ancestors:
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Methyl 5-tert-butyl-1，3，4-oxadiazole-2-carboxylateCas Number: 1565976-13-7 Compound CID: 112619013Formula: C8H12N2O3 Molecular Weight: 184.19IUPAC Name: methyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylateSMILES: CC(C)(C)C1=NN=C(O1)C(=O)OCInChIKey: DTQGRCCICURYSO-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O3/c1-8(2,3)7-10-9-5(13-7)6(11)12-4/h1-4H3 -
4-(5-Ethyl-1，2，4-oxadiazol-3-yl)benzoic acidCas Number: 769132-76-5 Compound CID: 24208814Formula: C11H10N2O3 Molecular Weight: 218.21IUPAC Name: 4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acidSMILES: CCC1=NC(=NO1)C2=CC=C(C=C2)C(=O)OInChIKey: FKTMJZFSKHVEBY-UHFFFAOYSA-NInChI: InChI=1S/C11H10N2O3/c1-2-9-12-10(13-16-9)7-3-5-8(6-4-7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
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Ethyl 3-(4-(trifluoromethyl)phenyl)-1，2，4-oxadiazole-5-carboxylateCas Number: 163719-82-2Formula: C12H9F3N2O3 Molecular Weight: 286.21SMILES: CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)C(F)(F)FInChIKey: VDTVVMFQLPTAOT-UHFFFAOYSA-NInChI: InChI=1S/C12H9F3N2O3/c1-2-19-11(18)10-16-9(17-20-10)7-3-5-8(6-4-7)12(13,14)15/h3-6H,2H2,1H3
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5-Methyl-1,2,4-oxadiazole-3-carboxylic acidCas Number: 19703-92-5 Compound CID: 23448650Formula: C4H4N2O3 Molecular Weight: 128.09IUPAC Name: 5-methyl-1,2,4-oxadiazole-3-carboxylic acidSMILES: CC1=NC(=NO1)C(=O)OInChIKey: UGENJCBDFKUWDO-UHFFFAOYSA-NInChI: InChI=1S/C4H4N2O3/c1-2-5-3(4(7)8)6-9-2/h1H3,(H,7,8)Synonyms: 5-Methyl-1,2,4-oxadiazol-3-carbonsaeure
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3-[3-(4-Fluorophenyl)-1，2，4-Oxadiazol-5-Yl]Propanoic AcidCas Number: 500025-07-0 Compound CID: 7130711Formula: C11H9FN2O3 Molecular Weight: 236.2IUPAC Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acidSMILES: C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)O)FInChIKey: BUMRHSFCLPSTJE-UHFFFAOYSA-NInChI: InChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
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3-Phenyl-5-(thiophen-2-yl)-1,2,4-oxadiazoleIUPAC Name: 3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazoleSMILES: C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CS3InChIKey: IHNSIFFSNUQGQN-UHFFFAOYSA-NInChI: InChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10/h1-8H
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3-(chloromethyl)-5-(2-chlorophenyl)-1，2，4-oxadiazoleCas Number: 110704-33-1 Compound CID: 16228375Formula: C9H6N2OCl2 Molecular Weight: 229.06IUPAC Name: 3-(chloromethyl)-5-(2-chlorophenyl)-1,2,4-oxadiazoleSMILES: C1=CC=C(C(=C1)C2=NC(=NO2)CCl)ClInChIKey: RYRIXIFYINOGIR-UHFFFAOYSA-NInChI: InChI=1S/C9H6Cl2N2O/c10-5-8-12-9(14-13-8)6-3-1-2-4-7(6)11/h1-4H,5H2
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3-(3-Methyl-1，2，4-oxadiazol-5-yl)benzaldehydeCas Number: 273727-50-7 Compound CID: 18545510Formula: C10H8N2O2 Molecular Weight: 188.19IUPAC Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehydeSMILES: CC1=NOC(=N1)C2=CC=CC(=C2)C=OInChIKey: YUNJEYQSCYYAEF-UHFFFAOYSA-NInChI: InChI=1S/C10H8N2O2/c1-7-11-10(14-12-7)9-4-2-3-8(5-9)6-13/h2-6H,1H3
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2-(5-Methyl-1，3，4-oxadiazol-2-yl)acetonitrileCas Number: 130781-63-4 Compound CID: 45791256Formula: C5H5N3O Molecular Weight: 123.12IUPAC Name: 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetonitrileSMILES: CC1=NN=C(O1)CC#NInChIKey: OFZOFWLYCRPADL-UHFFFAOYSA-NInChI: InChI=1S/C5H5N3O/c1-4-7-8-5(9-4)2-3-6/h2H2,1H3
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(5-Methyl-1，3，4-oxadiazol-2-yl)methanolFormula: C4H6N2O2 Molecular Weight: 114.1IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methanolSMILES: CC1=NN=C(O1)COInChIKey: LCLOUZXOEJVYFP-UHFFFAOYSA-NInChI: InChI=1S/C4H6N2O2/c1-3-5-6-4(2-7)8-3/h7H,2H2,1H3
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[3-(5-methyl-1，2，4-oxadiazol-3-yl)phenyl]methanolCas Number: 852180-70-2 Compound CID: 7060550Formula: C10H10N2O2 Molecular Weight: 190.2IUPAC Name: [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanolSMILES: CC1=NC(=NO1)C2=CC=CC(=C2)COInChIKey: KCLCEECIUZDIGI-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O2/c1-7-11-10(12-14-7)9-4-2-3-8(5-9)6-13/h2-5,13H,6H2,1H3
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[(3-Phenyl-1，2，4-oxadiazol-5-yl)methyl]amineCas Number: 90564-77-5 Compound CID: 4894507Formula: C9H9N3O Molecular Weight: 175.19IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamineSMILES: C1=CC=C(C=C1)C2=NOC(=N2)CNInChIKey: QFBMJBDECSEYCZ-UHFFFAOYSA-NInChI: InChI=1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
