4-Benzyl-2-methyl-1,3-oxazol-5(4h)-one
Basic information
- CAS
5469-44-3- Standard SMILES
CC1=NC(Cc2ccccc2)C(=O)O1- InChIKey
HJPYPJMQZJWETH-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 4-Benzyl-2-methyl-1,3-oxazol-5(4h)-one
- IUPAC
- 4-benzyl-2-methyl-4H-1,3-oxazol-5-one
Names & synonyms
4-benzyl-2-methyl-1,3-oxazol-5(4h)-oneRefChem:290305DTXCID202334346329-16-4DTXSID202822804-benzyl-2-methyloxazol-5(4H)-one5469-44-3NSC25332SCHEMBL109735002-methyl-4-benzyloxazolin-5-oneNSC-25332
Database identifiers
- CAS
5469-44-3- PubChem CID
- 230424
- DTXSID
DTXSID20282280
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…