5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C11H9BrN4OS — CID 19332881

IUPAC5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESBrc1cnn(CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C11H9BrN4OS/c12-8-6-13-16(7-8)4-3-10-14-11(15-17-10)9-2-1-5-18-9/h1-2,5-7H,3-4H2
InChIKeyJQVQIBVSQXAFTC-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.00
Rot. Bonds4

About 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 19332881) has the molecular formula C11H9BrN4OS and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID19332881
Molecular FormulaC11H9BrN4OS
Molecular Weight325.19 g/mol
Exact Mass323.97
IUPAC Name5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESBrc1cnn(CCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C11H9BrN4OS/c12-8-6-13-16(7-8)4-3-10-14-11(15-17-10)9-2-1-5-18-9/h1-2,5-7H,3-4H2
InChIKeyJQVQIBVSQXAFTC-UHFFFAOYSA-N
XLogP3.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-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 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 19332881) is 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Brc1cnn(CCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is JQVQIBVSQXAFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4OS/c12-8-6-13-16(7-8)4-3-10-14-11(15-17-10)9-2-1-5-18-9/h1-2,5-7H,3-4H2.
What are the key properties of 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 325.19 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromopyrazol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19332881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).