4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one

C17H13NO3 — CID 24977573

IUPAC4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESCC1(C(=O)c2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H13NO3/c1-17(14(19)12-8-4-2-5-9-12)16(20)21-15(18-17)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyOEOFHQXFSQEWBG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.63
Rot. Bonds3

About 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one

4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 24977573) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one
PubChem CID24977573
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESCC1(C(=O)c2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C17H13NO3/c1-17(14(19)12-8-4-2-5-9-12)16(20)21-15(18-17)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyOEOFHQXFSQEWBG-UHFFFAOYSA-N
XLogP2.63
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
4-methyl-4-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
CID 171347218
(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 7016908
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone
CID 382481
(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 57407427
tert-butyl (4R)-4-benzyl-2-(2-fluorophenyl)-5H-1,3-oxazole-4-carboxylate
CID 102573357
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one (CID 24977573) is 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one is CC1(C(=O)c2ccccc2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is OEOFHQXFSQEWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-17(14(19)12-8-4-2-5-9-12)16(20)21-15(18-17)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one?
4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one has a molecular weight of 279.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-4-methyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 24977573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).