2-benzylidene-4-phenyl-1,3-oxazol-5-one

C16H11NO2 — CID 11842096

IUPAC2-benzylidene-4-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(=Cc2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16-15(13-9-5-2-6-10-13)17-14(19-16)11-12-7-3-1-4-8-12/h1-11H
InChIKeyLDVFFQFWQPYFSE-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.03
Rot. Bonds2

About 2-benzylidene-4-phenyl-1,3-oxazol-5-one

2-benzylidene-4-phenyl-1,3-oxazol-5-one (PubChem CID 11842096) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-benzylidene-4-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-benzylidene-4-phenyl-1,3-oxazol-5-one
PubChem CID11842096
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name2-benzylidene-4-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(=Cc2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16-15(13-9-5-2-6-10-13)17-14(19-16)11-12-7-3-1-4-8-12/h1-11H
InChIKeyLDVFFQFWQPYFSE-UHFFFAOYSA-N
XLogP3.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Strepantibin B
CID 145720921
2-benzylidene-4-phenyl-1,3-oxazol-5(2H)-one
CID 851756
2-Benzhydrylidene-5-oxo-4-phenyl-1,2-oxazol-2-ium-3-olate
CID 11782798
(2Z)-2-[(Z)-[carboxy(phenyl)methylidene]hydrazinylidene]-2-phenylacetic acid
CID 15184953
3-(4-Fluorophenyl)-1,4-oxazin-2-one
CID 21264916
5-Benzyl-3-(4-fluorophenyl)-1,4-oxazin-2-one
CID 153815552
2H-1,4-Oxazin-2-one, 5-chloro-6-methyl-3-phenyl-
CID 11401775
methyl (2Z)-2-[(Z)-(2-methoxy-2-oxo-1-phenylethylidene)hydrazinylidene]-2-phenylacetate
CID 13777773
2-Isopropyl-4-phenyloxazol-5(2H)-one
CID 12280444
2-Methyl-4-phenyloxazol-5(2H)-one
CID 12343184
4-Phenyl-5-oxazolone
CID 12343185
2-(2-Methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)-4-phenyl-1,3-oxazol-5-one
CID 12728819

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-4-phenyl-1,3-oxazol-5-one?
The IUPAC name of 2-benzylidene-4-phenyl-1,3-oxazol-5-one (CID 11842096) is 2-benzylidene-4-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-benzylidene-4-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 2-benzylidene-4-phenyl-1,3-oxazol-5-one is O=C1OC(=Cc2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 2-benzylidene-4-phenyl-1,3-oxazol-5-one?
The InChIKey is LDVFFQFWQPYFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16-15(13-9-5-2-6-10-13)17-14(19-16)11-12-7-3-1-4-8-12/h1-11H.
What are the key properties of 2-benzylidene-4-phenyl-1,3-oxazol-5-one?
2-benzylidene-4-phenyl-1,3-oxazol-5-one has a molecular weight of 249.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-4-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 11842096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).