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

CAS 95124-68-8  ·  C10H8N2O3  ·  MW 204.18 g/mol

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3D model 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid, CAS 95124-68-8, molecular formula C10H8N2O3, molar mass 204.18 g/mol
About 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid

4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid is a chemical compound registered under number CAS 95124-68-8, with the molecular formula C10H8N2O3, and a molar mass of 204.18 g/mol.

The molecule contains 23 atoms connected by 24 chemical bonds. The full systematic IUPAC name of this compound is 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.9 (positive value, a lipophilic compound), polar surface area PSA = 76.2 Ų, 1 donors and 5 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC10H8N2O3
Masa molowa204.18 g/mol
IUPAC4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESCC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O
InChIKeyDTKAUYQBZSOHRJ-UHFFFAOYSA-N
logP (XLogP3)1.9
PSA76.2 Ų
HBD / HBA1 / 5
PubChem CIDCID 7127808 ↗
Scientific literature

Related literature

15 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (15 articles)

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
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📜 License & provenanceMolGod_License_1
4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid (CAS 95124-68-8), C10H8N2O3 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewPobierz obraz

MG-STL-95124-68-8-GRAVERED · 323,890 △ · 15 MB · SHA-256 3602d1d021d0c914

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4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid (CAS 95124-68-8), C10H8N2O3 - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

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Model
4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid · 95124-68-8
InChIKey
DTKAUYQBZSOHRJ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid (CAS 95124-68-8)
License & provenance record
4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid (CAS 95124-68-8) →
MolGod molecule record
4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid →
Source data
PubChem CID 7127808 ↗
Model information
STL generated by MolGod · MolGod STL Exporter @ 8b6dfdd · generated 2026-09-25
SHA-256 (STL)
ed99c69faa66810ca0e273f4e2a584d966ba1f35ae4a71fd9621bca27da477d0
MD5 (STL)
ef9911100ebcf398eee5cc866d01b80c
Model identifier
MG-STL-95124-68-8
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
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