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

C12H7ClN2OS — CID 790251

IUPAC2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C12H7ClN2OS/c13-9-5-3-8(4-6-9)11-14-15-12(16-11)10-2-1-7-17-10/h1-7H
InChIKeyPNMYBRSGSHXITR-UHFFFAOYSA-N
MW262.72 g/mol
LogP4.12
Rot. Bonds2

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

2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 790251) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID790251
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C12H7ClN2OS/c13-9-5-3-8(4-6-9)11-14-15-12(16-11)10-2-1-7-17-10/h1-7H
InChIKeyPNMYBRSGSHXITR-UHFFFAOYSA-N
XLogP4.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-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-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 790251) is 2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole is Clc1ccc(-c2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is PNMYBRSGSHXITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-9-5-3-8(4-6-9)11-14-15-12(16-11)10-2-1-7-17-10/h1-7H.
What are the key properties of 2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 262.72 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 790251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).