2-Phenyl-4-propanoyl-1,3-oxazol-5(4H)-one
Basic information
- CAS
85094-77-5- Standard SMILES
CCC(=O)C1N=C(c2ccccc2)OC1=O- InChIKey
FLCGQLNXAQAXSM-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 2-Phenyl-4-propanoyl-1,3-oxazol-5(4H)-one
- IUPAC
- 2-phenyl-4-propanoyl-4H-1,3-oxazol-5-one
Names & synonyms
85094-77-52-Phenyl-4-propanoyl-1,3-oxazol-5(4H)-oneDTXSID00514854RefChem:265278DTXCID104656612-Phenyl-4-propionyloxazol-5(4H)-one2-phenyl-4-propionyl-5-oxazolinone
Database identifiers
- CAS
85094-77-5- PubChem CID
- 13005181
- DTXSID
DTXSID00514854
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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