3-Chloro-3-(4-ethyl-2-oxazolyl)-1-azabicyclo[2.2.2]octane
Basic information
- CAS
122829-62-3- Standard SMILES
CCc1coc(C2(Cl)CN3CCC2CC3)n1- InChIKey
DZTZPCPBBMQGMZ-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O
- Average molar mass
- 240.73 g/mol
- Monoisotopic mass
- 240.1029409
Names & identifiers
- Preferred name
- 3-Chloro-3-(4-ethyl-2-oxazolyl)-1-azabicyclo[2.2.2]octane
- IUPAC
- 2-(3-chloro-1-azabicyclo[2.2.2]octan-3-yl)-4-ethyl-1,3-oxazole
Names & synonyms
122829-62-33-Chloro-3-(4-ethyl-2-oxazolyl)-1-azabicyclo[2.2.2]octaneDTXSID7011971763-Chloro-3-(4-ethyl-1,3-oxazol-2-yl)-1-azabicyclo[2.2.2]octane
Database identifiers
- CAS
122829-62-3- PubChem CID
- 85599766
- DTXSID
DTXSID701197176
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…