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1,4-oxazepines

Description:

Organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively.
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  1. 6-oxa-3-azabicyclo[3.2.1]octane hydrochloride
      Grade & Purity: 
    • ≥97%
    Cas Number: 1461708-41-7        EC Number: 824-848-3        Compound CID:  75421689
    IUPAC Name:  6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
    SMILES:  C1C2CNCC1OC2.Cl
    InChIKey: ADQJXEWIAFVAHZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H11NO.ClH/c1-5-2-7-3-6(1)8-4-5;/h5-7H,1-4H2;1H
    Synonyms: P19043 | Z1688198390 | AKOS026743365 | MFCD25970397 | 1461708-41-7 | 6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride | ...
  2. 6-methyl-1,4-oxazepane
      Grade & Purity: 
    • ≥97%
    Cas Number: 1246494-22-3        Compound CID:  58057944
    Formula:  C6H13NO        Molecular Weight: 115.17
    IUPAC Name:  6-methyl-1,4-oxazepane
    SMILES:  CC1CNCCOC1
    InChIKey: DYHXKPISQYRSST-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H13NO/c1-6-4-7-2-3-8-5-6/h6-7H,2-5H2,1H3
    Synonyms: 6-methyl-1,4-oxazepane | 1246494-22-3 | SCHEMBL2602793 | AKOS013567343 | EN300-117105 | F89307 | Z1216819166
  3. 6-methyl-1,4-oxazepane;hydrochloride
      Grade & Purity: 
    • ≥97%
    Cas Number: 1246456-02-9        EC Number: 871-647-1        Compound CID:  66718582
    Formula:  C6H13NO·HCl        Molecular Weight: 151.63
    IUPAC Name:  6-methyl-1,4-oxazepane;hydrochloride
    SMILES:  CC1CNCCOC1.Cl
    InChIKey: GFLYPKSJXYATIR-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H13NO.ClH/c1-6-4-7-2-3-8-5-6;/h6-7H,2-5H2,1H3;1H
    Synonyms: 6-Methyl-1,4-oxazepanehydrochloride | 1246456-02-9 | CS-0443259 | SY293236 | 6-Methyl-1,4-oxazepane HCl | 6-Methyl-1,...
  4. tert-butyl 6-oxo-1,4-oxazepane-4-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 748805-97-2        EC Number: 830-530-5        Compound CID:  24865325
    Formula:  C10H17NO4        Molecular Weight: 215.25
    IUPAC Name:  tert-butyl 6-oxo-1,4-oxazepane-4-carboxylate
    SMILES:  CC(C)(C)OC(=O)N1CCOCC(=O)C1
    InChIKey: PFSHWTZFMZJJMP-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(12)6-11/h4-7H2,1-3H3
    Synonyms: SCHEMBL1280597 | DTXSID60647753 | YEB80597 | A915185 | N-Boc-6-oxo-1,4-oxazepane | AKOS022177614 | CS-0037504 | PFSHW...
  5. tert-butyl 6-methylene-1,4-oxazepane-4-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 748805-96-1        Compound CID:  21064050
    Formula:  C11H19NO3        Molecular Weight: 213.27
    IUPAC Name:  tert-butyl 6-methylidene-1,4-oxazepane-4-carboxylate
    SMILES:  CC(C)(C)OC(=O)N1CCOCC(=C)C1
    InChIKey: UHNJPHHZWSDWHT-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H19NO3/c1-9-7-12(5-6-14-8-9)10(13)15-11(2,3)4/h1,5-8H2,2-4H3
    Synonyms: AKOS027254961 | UHNJPHHZWSDWHT-UHFFFAOYSA-N | DTXSID40610420 | CS-0035519 | tert-Butyl-6-methylene-1,4-oxazepane-4-ca...
  6. tert-butyl 6-oxa-1,9-diazaspiro[3.6]decane-9-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1250998-87-8        Compound CID:  72207242
    Formula:  C12H22N2O3        Molecular Weight: 242.32
    IUPAC Name:  tert-butyl 9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate
    SMILES:  CC(C)(C)OC(=O)N1CCOCC2(C1)CCN2
    InChIKey: FUVLJEQUXZZMEG-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-7-16-9-12(8-14)4-5-13-12/h13H,4-9H2,1-3H3
    Synonyms: 9-BOC-6-OXA-1,9-DIAZASPIRO[3.6]DECANE | 1250998-87-8 | tert-butyl 9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate | MFC...
  7. tert-butyl 6-hydroxy-1,4-oxazepane-4-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1272758-40-3        Compound CID:  53401969
    Formula:  C10H19NO4        Molecular Weight: 217.26
    IUPAC Name:  tert-butyl 6-hydroxy-1,4-oxazepane-4-carboxylate
    SMILES:  CC(C)(C)OC(=O)N1CCOCC(C1)O
    InChIKey: HFIKYUQRVQDAKC-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(12)6-11/h8,12H,4-7H2,1-3H3
    Synonyms: SB32603 | SB32336 | 4-Boc-6-Hydroxy-[1,4]oxazepane | N-BOC-6-HYDROXY-1,4-OXAZEPANE | A920367 | SB32314 | DTXSID201129...
  8. tert-butyl 6-cyano-1,4-oxazepane-4-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1823484-09-8        Compound CID:  72698643
    Formula:  C11H18N2O3        Molecular Weight: 226.27
    IUPAC Name:  tert-butyl 6-cyano-1,4-oxazepane-4-carboxylate
    SMILES:  CC(C)(C)OC(=O)N1CCOCC(C1)C#N
    InChIKey: OKGJAFUVBANFPN-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H18N2O3/c1-11(2,3)16-10(14)13-4-5-15-8-9(6-12)7-13/h9H,4-5,7-8H2,1-3H3
    Synonyms: tert-Butyl 6-cyano-1,4-oxazepane-4-carboxylate | 1823484-09-8 | 4-BOC-6-CYANO-1,4-OXAZEPANE | CS-0077702 | tert-Butyl...
  9. tert-butyl 6-amino-1,4-oxazepane-4-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1170390-54-1        Compound CID:  44119210
    Formula:  C10H20N2O3        Molecular Weight: 216.28
    IUPAC Name:  tert-butyl 6-amino-1,4-oxazepane-4-carboxylate
    SMILES:  CC(C)(C)OC(=O)N1CCOCC(C1)N
    InChIKey: QIAURBVQLIUTQH-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(11)6-12/h8H,4-7,11H2,1-3H3
    Synonyms: DTXSID30657102 | J-514520 | TERT-BUTYL6-AMINO-1,4-OXAZEPANE-4-CARBOXYLATE | SB30978 | MFCD12964084 | SB34770 | AKOS01...
  10. tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1063734-19-9        EC Number: 825-624-8        Compound CID:  57732267
    Formula:  C11H21NO4        Molecular Weight: 231.29
    IUPAC Name:  tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
    SMILES:  CC(C)(C)OC(=O)N1CCOCC(C1)CO
    InChIKey: SLJSFXUOECCLPA-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-4-5-15-8-9(6-12)7-13/h9,13H,4-8H2,1-3H3
    Synonyms: AKOS024155596 | MFCD22573923 | EN300-212967 | SCHEMBL1441732 | TERT-BUTYL6-(HYDROXYMETHYL)-1,4-OXAZEPANE-4-CARBOXYLAT...
  11. tert-butyl 6-(fluoromethyl)-6-hydroxy-1,4-oxazepane-4-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1801455-03-7        Compound CID:  118230346
    Formula:  C11H20NO4F        Molecular Weight: 249.28
    IUPAC Name:  tert-butyl 6-(fluoromethyl)-6-hydroxy-1,4-oxazepane-4-carboxylate
    SMILES:  CC(C)(C)OC(=O)N1CCOCC(C1)(CF)O
    InChIKey: HWLQWJNIQHNIBE-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H20FNO4/c1-10(2,3)17-9(14)13-4-5-16-8-11(15,6-12)7-13/h15H,4-8H2,1-3H3
    Synonyms: tert-Butyl 6-(fluoromethyl)-6-hydroxy-1,4-oxazepane-4-carboxylate | 1801455-03-7 | starbld0042610 | SCHEMBL16903429 |...
  12. tert-butyl 10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1160248-54-3        Compound CID:  71305885
    Formula:  C12H20N2O4        Molecular Weight: 256.3
    IUPAC Name:  tert-butyl 10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxylate
    SMILES:  CC(C)(C)OC(=O)N1CC2COCC(C1)NC2=O
    InChIKey: BAFSZFFNJNSJOE-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)14-4-8-6-17-7-9(5-14)13-10(8)15/h8-9H,4-7H2,1-3H3,(H,13,15)
    Synonyms: TERT-BUTYL 10-OXO-3-OXA-7,9-DIAZABICYCLO[3.3.2]DECANE-7-CARBOXYLATE | 1160248-54-3 | AM805479 | CS-0310298 | F88183 |...
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