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

C22H17NO2 — CID 11416170

IUPAC4-benzyl-2,4-diphenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-22(19-14-8-3-9-15-19,16-17-10-4-1-5-11-17)23-20(25-21)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyOLGWZDXJNSMSCP-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.13
Rot. Bonds4

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

4-benzyl-2,4-diphenyl-1,3-oxazol-5-one (PubChem CID 11416170) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-benzyl-2,4-diphenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzyl-2,4-diphenyl-1,3-oxazol-5-one
PubChem CID11416170
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name4-benzyl-2,4-diphenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-22(19-14-8-3-9-15-19,16-17-10-4-1-5-11-17)23-20(25-21)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyOLGWZDXJNSMSCP-UHFFFAOYSA-N
XLogP4.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (4S,5S)-5-[2-(azidomethyl)phenyl]-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130327782
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
methyl N-benzhydrylidenephenylglycinate
CID 11151629
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
tert-butyl (4R)-4-[(4-fluorophenyl)methyl]-2-(2-phenylphenyl)-5H-1,3-oxazole-4-carboxylate
CID 11475955
(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 57407427

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,4-diphenyl-1,3-oxazol-5-one?
The IUPAC name of 4-benzyl-2,4-diphenyl-1,3-oxazol-5-one (CID 11416170) is 4-benzyl-2,4-diphenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzyl-2,4-diphenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-benzyl-2,4-diphenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzyl-2,4-diphenyl-1,3-oxazol-5-one?
The InChIKey is OLGWZDXJNSMSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-22(19-14-8-3-9-15-19,16-17-10-4-1-5-11-17)23-20(25-21)18-12-6-2-7-13-18/h1-15H,16H2.
What are the key properties of 4-benzyl-2,4-diphenyl-1,3-oxazol-5-one?
4-benzyl-2,4-diphenyl-1,3-oxazol-5-one has a molecular weight of 327.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,4-diphenyl-1,3-oxazol-5-one is sourced from PubChem (CID 11416170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).