4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one

C20H14N2O3 — CID 3942013

IUPAC4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
SMILESCc1onc(-c2ccccc2)c1C1=NC(=Cc2ccccc2)C(=O)O1
InChIInChI=1S/C20H14N2O3/c1-13-17(18(22-25-13)15-10-6-3-7-11-15)19-21-16(20(23)24-19)12-14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyURQHEACBXMIPAG-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.99
Rot. Bonds3

About 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one

4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one (PubChem CID 3942013) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
PubChem CID3942013
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
SMILESCc1onc(-c2ccccc2)c1C1=NC(=Cc2ccccc2)C(=O)O1
InChIInChI=1S/C20H14N2O3/c1-13-17(18(22-25-13)15-10-6-3-7-11-15)19-21-16(20(23)24-19)12-14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyURQHEACBXMIPAG-UHFFFAOYSA-N
XLogP3.99
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
CID 6372706
(4Z)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 6152603
(4E)-4-[(2,3-dichlorophenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
CID 6991627
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4027668
4-[3-(2-methoxyphenyl)prop-2-enylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
CID 5017999
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 71414757
(4E)-2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-4-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5384275
(4Z)-4-benzylidene-2-(4-bromo-3-methylphenyl)-1,3-oxazol-5-one
CID 6116552
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665289
4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 2480120
(4Z)-2-(2-methylphenyl)-4-[[4-[(Z)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]methylidene]-1,3-oxazol-5-one
CID 93051206

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one?
The IUPAC name of 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one (CID 3942013) is 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one?
The canonical SMILES for 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one is Cc1onc(-c2ccccc2)c1C1=NC(=Cc2ccccc2)C(=O)O1.
What is the InChIKey of 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one?
The InChIKey is URQHEACBXMIPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-13-17(18(22-25-13)15-10-6-3-7-11-15)19-21-16(20(23)24-19)12-14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one?
4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one has a molecular weight of 330.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 3942013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).