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

C10H8N2O3 — CID 7127818

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESCc1nc(-c2cccc(C(=O)O)c2)no1
InChIInChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyCEBJCUYZEOLQSC-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.74
Rot. Bonds2

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

3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid (PubChem CID 7127818) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
PubChem CID7127818
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESCc1nc(-c2cccc(C(=O)O)c2)no1
InChIInChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyCEBJCUYZEOLQSC-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 3-(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

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid (CID 7127818) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid is Cc1nc(-c2cccc(C(=O)O)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The InChIKey is CEBJCUYZEOLQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
3-(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 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid is sourced from PubChem (CID 7127818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).