2,5,5-triphenyl-1,3-oxazol-4-one

C21H15NO2 — CID 13032348

IUPAC2,5,5-triphenyl-1,3-oxazol-4-one
SMILESO=C1N=C(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15NO2/c23-20-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)24-19(22-20)16-10-4-1-5-11-16/h1-15H
InChIKeyKKVSTHNOCRVIPU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.93
Rot. Bonds3

About 2,5,5-triphenyl-1,3-oxazol-4-one

2,5,5-triphenyl-1,3-oxazol-4-one (PubChem CID 13032348) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2,5,5-triphenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name2,5,5-triphenyl-1,3-oxazol-4-one
PubChem CID13032348
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name2,5,5-triphenyl-1,3-oxazol-4-one
SMILESO=C1N=C(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15NO2/c23-20-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)24-19(22-20)16-10-4-1-5-11-16/h1-15H
InChIKeyKKVSTHNOCRVIPU-UHFFFAOYSA-N
XLogP3.93
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
5,5-Diphenyl-2-(trifluoromethyl)-1,3-oxazol-4-one
CID 13449404
(5S)-5-benzyl-5-[(3-bromophenyl)methyl]-2-(3-fluorophenyl)-1,3-oxazol-4-one
CID 139094373
2,5,5-triphenyl-4H-1,3-oxazole
CID 13191726
(4R)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 56974588
(4S)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 57166581
5-Benzoyl-2-phenyl-1,3-oxazol-4(5h)-one
CID 271845
(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
CID 11164252
(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one
CID 11231005
5(4H)-Oxazolone, 2-phenyl-4,4-bis(phenylmethyl)-
CID 11244749
4-Benzyl-2,4-diphenyl-1,3-oxazol-5-one
CID 11416170
(5R)-5-[(1S)-1-(cyclohexen-1-yl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 12123228

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triphenyl-1,3-oxazol-4-one?
The IUPAC name of 2,5,5-triphenyl-1,3-oxazol-4-one (CID 13032348) is 2,5,5-triphenyl-1,3-oxazol-4-one.
What is the SMILES notation for 2,5,5-triphenyl-1,3-oxazol-4-one?
The canonical SMILES for 2,5,5-triphenyl-1,3-oxazol-4-one is O=C1N=C(c2ccccc2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5,5-triphenyl-1,3-oxazol-4-one?
The InChIKey is KKVSTHNOCRVIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-20-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)24-19(22-20)16-10-4-1-5-11-16/h1-15H.
What are the key properties of 2,5,5-triphenyl-1,3-oxazol-4-one?
2,5,5-triphenyl-1,3-oxazol-4-one has a molecular weight of 313.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triphenyl-1,3-oxazol-4-one is sourced from PubChem (CID 13032348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).