4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid

C23H15NO4 — CID 2480120

IUPAC4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid
SMILESO=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C/c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H15NO4/c25-22(26)19-8-6-15(7-9-19)14-20-23(27)28-21(24-20)18-12-10-17(11-13-18)16-4-2-1-3-5-16/h1-14H,(H,25,26)/b20-14+
InChIKeyJNFNVGACTRPCEX-XSFVSMFZSA-N
MW369.38 g/mol
LogP4.40
Rot. Bonds4

About 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid

4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid (PubChem CID 2480120) has the molecular formula C23H15NO4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid
PubChem CID2480120
Molecular FormulaC23H15NO4
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid
SMILESO=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C/c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H15NO4/c25-22(26)19-8-6-15(7-9-19)14-20-23(27)28-21(24-20)18-12-10-17(11-13-18)16-4-2-1-3-5-16/h1-14H,(H,25,26)/b20-14+
InChIKeyJNFNVGACTRPCEX-XSFVSMFZSA-N
XLogP4.40
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665289
4-[(Z)-[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 9313562
4-[(Z)-[2-(3,5-dimethoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 7963842
4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 71414757
4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 2395365
4-[(E)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 2395362
[4-[(Z)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]phenyl] propanoate
CID 19665311
4-[(E)-[2-(2-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 5292990
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665278
[4-[[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] benzoate
CID 1041697
methyl 4-[[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 2876580

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid?
The IUPAC name of 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid (CID 2480120) is 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid?
The canonical SMILES for 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid is O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C/c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid?
The InChIKey is JNFNVGACTRPCEX-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H15NO4/c25-22(26)19-8-6-15(7-9-19)14-20-23(27)28-21(24-20)18-12-10-17(11-13-18)16-4-2-1-3-5-16/h1-14H,(H,25,26)/b20-14+.
What are the key properties of 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid?
4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid has a molecular weight of 369.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid is sourced from PubChem (CID 2480120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).