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

C16H12N2O4 — CID 23008025

IUPAC2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
SMILESCOc1ccccc1-c1noc(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C16H12N2O4/c1-21-13-9-5-4-8-12(13)14-17-15(22-18-14)10-6-2-3-7-11(10)16(19)20/h2-9H,1H3,(H,19,20)
InChIKeyBBEXYSCBGXPEGO-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.11
Rot. Bonds4

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

2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid (PubChem CID 23008025) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
PubChem CID23008025
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
SMILESCOc1ccccc1-c1noc(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C16H12N2O4/c1-21-13-9-5-4-8-12(13)14-17-15(22-18-14)10-6-2-3-7-11(10)16(19)20/h2-9H,1H3,(H,19,20)
InChIKeyBBEXYSCBGXPEGO-UHFFFAOYSA-N
XLogP3.11
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-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

[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 1249644
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057770
[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 2034209
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-nitrophenyl)benzamide
CID 2231217
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 66976761
4-methoxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 54391138
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid?
The IUPAC name of 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid (CID 23008025) is 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid is COc1ccccc1-c1noc(-c2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid?
The InChIKey is BBEXYSCBGXPEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-21-13-9-5-4-8-12(13)14-17-15(22-18-14)10-6-2-3-7-11(10)16(19)20/h2-9H,1H3,(H,19,20).
What are the key properties of 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid?
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid has a molecular weight of 296.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid is sourced from PubChem (CID 23008025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).