5-{[(1-Ethynylcyclohexyl)oxy]methyl}-3-phenyl-1,3-oxazolidin-2-one
Basic information
- CAS
42468-57-5- Standard SMILES
C#CC1(OCC2CN(c3ccccc3)C(=O)O2)CCCCC1- InChIKey
RUJQPJUEWBJKJR-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Names & identifiers
- Preferred name
- 5-{[(1-Ethynylcyclohexyl)oxy]methyl}-3-phenyl-1,3-oxazolidin-2-one
- IUPAC
- 5-[(1-ethynylcyclohexyl)oxymethyl]-3-phenyl-1,3-oxazolidin-2-one
Names & synonyms
42468-57-55-(((1-Ethynylcyclohexyl)oxy)methyl)-3-phenyloxazolidin-2-one5-{[(1-ethynylcyclohexyl)oxy]methyl}-3-phenyl-1,3-oxazolidin-2-oneNSC159151DTXSID80303581NSC-159151DS-0056265-[(1-Ethynylcyclohexyl)oxymethyl]-3-phenyl-oxazolidin-2-one
Database identifiers
- CAS
42468-57-5- PubChem CID
- 292933
- DTXSID
DTXSID80303581
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…