(3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole
Basic information
- CAS
81795-66-6- Standard SMILES
c1ccc(CN2CO[C@@H]3CCCCC[C@H]32)cc1- InChIKey
VYAKLPPTHQZAFD-HUUCEWRRSA-N- Molecular formula
- C15H21NO
- Average molar mass
- 231.33 g/mol
- Monoisotopic mass
- 231.16231429
Names & identifiers
- Preferred name
- (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole
- IUPAC
- (3aR,8aR)-3-benzyl-2,3a,4,5,6,7,8,8a-octahydrocyclohepta[d][1,3]oxazole
Names & synonyms
MLS00317119181795-66-6NSC361869DTXSID10320605NSC-361869(3aR,8aR)-3-Benzyloctahydro-2H-cyclohepta[d][1,3]oxazole
Database identifiers
- CAS
81795-66-6- PubChem CID
- 338644
- DTXSID
DTXSID10320605
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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