Basic information
- CAS
89004-09-1- Standard SMILES
CC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1- InChIKey
WSEFRAQEIQNROX-UHFFFAOYSA-N- Molecular formula
- C19H17NO2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.12592879
Names & identifiers
- Preferred name
- 4-(4,5-Diphenyl-1,3-oxazol-2-yl)butan-2-one
- IUPAC
- 4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one
Names & synonyms
89004-09-14-(4,5-Diphenyl-1,3-oxazol-2-yl)butan-2-oneSCHEMBL12608914DTXSID10520103
Database identifiers
- CAS
89004-09-1- PubChem CID
- 13126830
- DTXSID
DTXSID10520103
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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