Basic information
- CAS
87190-45-2- Standard SMILES
CC(C)(C)N1O[C@H](C#N)C[C@@H]1c1ccccc1- InChIKey
UFSNJTFWSSKMPS-QWHCGFSZSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- (3R,5S)-2-tert-Butyl-3-phenyl-1,2-oxazolidine-5-carbonitrile
- IUPAC
- (3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidine-5-carbonitrile
Names & synonyms
87190-45-2Cis-2-(tert-butyl)-3-phenylisoxazolidine-5-carbonitrileDTXSID20832926(3R,5S)-2-tert-Butyl-3-phenyl-1,2-oxazolidine-5-carbonitrile
Database identifiers
- CAS
87190-45-2- PubChem CID
- 71413402
- DTXSID
DTXSID20832926
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…