4,4-Dimethyl-2-phenyl-1,3-oxazol-5(4H)-one
Basic information
- CAS
7563-05-5- Standard SMILES
CC1(C)N=C(c2ccccc2)OC1=O- InChIKey
LNARBTSTFCUKML-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 4,4-Dimethyl-2-phenyl-1,3-oxazol-5(4H)-one
- IUPAC
- 4,4-dimethyl-2-phenyl-1,3-oxazol-5-one
Names & synonyms
7563-05-5DTXSID803264774,4-Dimethyl-2-phenyl-1,3-oxazol-5(4H)-oneRefChem:285004DTXCID202775905(4H)-Oxazolone, 4,4-dimethyl-2-phenyl-4,4-dimethyl-2-phenyl-4,5-dihydro-1,3-oxazol-5-one4,4-dimethyl-2-phenyl-1,3-oxazol-5-oneNSC528735SCHEMBL3384398AS-0264NSC-528735
Show more names
2-phenyl-4,4 dimethyl-oxazolin-5-oneDS-001272
Database identifiers
- CAS
7563-05-5- PubChem CID
- 352906
- DTXSID
DTXSID80326477- Nikkaji
- J1.285.668G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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