4-methyl-2,4-diphenyl-1,3-oxazol-5-one

C16H13NO2 — CID 10999497

IUPAC4-methyl-2,4-diphenyl-1,3-oxazol-5-one
SMILESCC1(c2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C16H13NO2/c1-16(13-10-6-3-7-11-13)15(18)19-14(17-16)12-8-4-2-5-9-12/h2-11H,1H3
InChIKeyQDMYCIQQDORFQP-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.91
Rot. Bonds2

About 4-methyl-2,4-diphenyl-1,3-oxazol-5-one

4-methyl-2,4-diphenyl-1,3-oxazol-5-one (PubChem CID 10999497) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-methyl-2,4-diphenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-2,4-diphenyl-1,3-oxazol-5-one
PubChem CID10999497
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name4-methyl-2,4-diphenyl-1,3-oxazol-5-one
SMILESCC1(c2ccccc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C16H13NO2/c1-16(13-10-6-3-7-11-13)15(18)19-14(17-16)12-8-4-2-5-9-12/h2-11H,1H3
InChIKeyQDMYCIQQDORFQP-UHFFFAOYSA-N
XLogP2.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
(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
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
4,4-Diphenyl-2-(trifluoromethyl)-1,3-oxazol-5(4H)-one
CID 12412848
(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 57407427
(4S)-4-methyl-2-phenyl-4-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-5-one
CID 101537590
tert-butyl (4R)-4-benzyl-2-(2-fluorophenyl)-5H-1,3-oxazole-4-carboxylate
CID 102573357

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,4-diphenyl-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-2,4-diphenyl-1,3-oxazol-5-one (CID 10999497) is 4-methyl-2,4-diphenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-2,4-diphenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-2,4-diphenyl-1,3-oxazol-5-one is CC1(c2ccccc2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-methyl-2,4-diphenyl-1,3-oxazol-5-one?
The InChIKey is QDMYCIQQDORFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-16(13-10-6-3-7-11-13)15(18)19-14(17-16)12-8-4-2-5-9-12/h2-11H,1H3.
What are the key properties of 4-methyl-2,4-diphenyl-1,3-oxazol-5-one?
4-methyl-2,4-diphenyl-1,3-oxazol-5-one has a molecular weight of 251.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,4-diphenyl-1,3-oxazol-5-one is sourced from PubChem (CID 10999497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).