2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole

C13H10N2OS — CID 745354

IUPAC2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-15-13(16-12)11-3-2-8-17-11/h2-8H,1H3
InChIKeyUFSABVPRBSDFAW-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.77
Rot. Bonds2

About 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole

2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 745354) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID745354
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-15-13(16-12)11-3-2-8-17-11/h2-8H,1H3
InChIKeyUFSABVPRBSDFAW-UHFFFAOYSA-N
XLogP3.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole 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 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 745354) is 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is UFSABVPRBSDFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-15-13(16-12)11-3-2-8-17-11/h2-8H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 242.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 745354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).