Ethyl 9a-hydroxy-3-oxo-2-(propan-2-yl)octahydro[1,3]oxazolo[3,2-a]azepine-2-carboxylate
Basic information
- CAS
60807-02-5- Standard SMILES
CCOC(=O)C1(C(C)C)OC2(O)CCCCCN2C1=O- InChIKey
ZGNXRLSQNGSIJW-UHFFFAOYSA-N- Molecular formula
- C14H23NO5
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.15762283
Names & identifiers
- Preferred name
- Ethyl 9a-hydroxy-3-oxo-2-(propan-2-yl)octahydro[1,3]oxazolo[3,2-a]azepine-2-carboxylate
- IUPAC
- ethyl 9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carboxylate
Names & synonyms
60807-02-5ethyl 9a-hydroxy-3-oxo-2-(propan-2-yl)octahydro[1,3]oxazolo[3,2-a]azepine-2-carboxylateNSC162689DTXSID60303842NSC-162689
Database identifiers
- CAS
60807-02-5- PubChem CID
- 294401
- DTXSID
DTXSID60303842
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 410
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Compound notes
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