2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid

C10H8N2O3 — CID 66976761

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESCc1nc(-c2ccccc2C(=O)O)no1
InChIInChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-4-2-3-5-8(7)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyFGACRIAAIIXTOO-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.74
Rot. Bonds2

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid

2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid (PubChem CID 66976761) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
PubChem CID66976761
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESCc1nc(-c2ccccc2C(=O)O)no1
InChIInChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-4-2-3-5-8(7)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyFGACRIAAIIXTOO-UHFFFAOYSA-N
XLogP1.74
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-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

2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 129038073
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057770
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700547
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 136984590
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 29078211
N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3800118
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid
CID 68554341
2-(2,5-dimethyl-1,2,4-triazol-3-yl)benzoic acid
CID 62696650

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid (CID 66976761) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid is Cc1nc(-c2ccccc2C(=O)O)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The InChIKey is FGACRIAAIIXTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-4-2-3-5-8(7)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid has a molecular weight of 204.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid is sourced from PubChem (CID 66976761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).