4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one

C22H15NO2 — CID 4268049

IUPAC4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccc(-c3ccccc3)cc2)C1=Cc1ccccc1
InChIInChI=1S/C22H15NO2/c24-22-20(15-16-7-3-1-4-8-16)21(23-25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-15H
InChIKeyZEFGGNIQJNZAFO-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.70
Rot. Bonds3

About 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one

4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one (PubChem CID 4268049) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
PubChem CID4268049
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccc(-c3ccccc3)cc2)C1=Cc1ccccc1
InChIInChI=1S/C22H15NO2/c24-22-20(15-16-7-3-1-4-8-16)21(23-25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-15H
InChIKeyZEFGGNIQJNZAFO-UHFFFAOYSA-N
XLogP4.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-benzylidene-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 678394
3-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2-oxazol-5-one
CID 171131858
(4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one
CID 5293695
(4Z)-4-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679281
3-(4-bromophenyl)-4-[(4-methylphenyl)methylidene]-1,2-oxazol-5-one
CID 4573635
4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 3567474
(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one
CID 88977221
4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 171131683
4-[(2,6-dichlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2726243
[4-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzoate
CID 3288875
4-benzylidene-3-(4-chloro-3-nitrophenyl)-1,2-oxazol-5-one
CID 4537965
(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
CID 13199479

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one?
The IUPAC name of 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one (CID 4268049) is 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one.
What is the SMILES notation for 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one?
The canonical SMILES for 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one is O=C1ON=C(c2ccc(-c3ccccc3)cc2)C1=Cc1ccccc1.
What is the InChIKey of 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one?
The InChIKey is ZEFGGNIQJNZAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c24-22-20(15-16-7-3-1-4-8-16)21(23-25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-15H.
What are the key properties of 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one?
4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one has a molecular weight of 325.37 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one is sourced from PubChem (CID 4268049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).