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

C12H7BrN2OS — CID 4210040

IUPAC2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C12H7BrN2OS/c13-9-5-3-8(4-6-9)11-14-15-12(16-11)10-2-1-7-17-10/h1-7H
InChIKeySJTBEAXNMDOACV-UHFFFAOYSA-N
MW307.17 g/mol
LogP4.23
Rot. Bonds2

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

2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 4210040) has the molecular formula C12H7BrN2OS and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID4210040
Molecular FormulaC12H7BrN2OS
Molecular Weight307.17 g/mol
Exact Mass305.95
IUPAC Name2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C12H7BrN2OS/c13-9-5-3-8(4-6-9)11-14-15-12(16-11)10-2-1-7-17-10/h1-7H
InChIKeySJTBEAXNMDOACV-UHFFFAOYSA-N
XLogP4.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-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-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 4210040) is 2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole is Brc1ccc(-c2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is SJTBEAXNMDOACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2OS/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-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 307.17 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 4210040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).