4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid

C22H18N2O4 — CID 101241653

IUPAC4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESCOc1ccc(C2ON=C(c3ccc(C(=O)O)cc3)N2c2ccccc2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-19-13-11-16(12-14-19)21-24(18-5-3-2-4-6-18)20(23-28-21)15-7-9-17(10-8-15)22(25)26/h2-14,21H,1H3,(H,25,26)
InChIKeyJRRUKJRHOAYRFE-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.29
Rot. Bonds5

About 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid

4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 101241653) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID101241653
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESCOc1ccc(C2ON=C(c3ccc(C(=O)O)cc3)N2c2ccccc2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-19-13-11-16(12-14-19)21-24(18-5-3-2-4-6-18)20(23-28-21)15-7-9-17(10-8-15)22(25)26/h2-14,21H,1H3,(H,25,26)
InChIKeyJRRUKJRHOAYRFE-UHFFFAOYSA-N
XLogP4.29
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]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

4-[4-(4-methylphenyl)-5-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid
CID 101241650
2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1,3-dioxoisoindole-5-carboxylic acid
CID 102597639
N-ethyl-4-[5-(3-nitrophenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzamide
CID 11247038
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 70518687
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
4-[5-(1,3-benzodioxol-5-yl)-4-benzyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid
CID 101241659
4-methoxybenzoic acid;pyridine
CID 174860408
4-[3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]benzoic acid
CID 50888067
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid (CID 101241653) is 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid is COc1ccc(C2ON=C(c3ccc(C(=O)O)cc3)N2c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is JRRUKJRHOAYRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-19-13-11-16(12-14-19)21-24(18-5-3-2-4-6-18)20(23-28-21)15-7-9-17(10-8-15)22(25)26/h2-14,21H,1H3,(H,25,26).
What are the key properties of 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid?
4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid has a molecular weight of 374.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 101241653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).