5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole

C10H5ClN2OS — CID 112571951

IUPAC5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
SMILESClc1noc(-c2cc3ccccc3s2)n1
InChIInChI=1S/C10H5ClN2OS/c11-10-12-9(14-13-10)8-5-6-3-1-2-4-7(6)15-8/h1-5H
InChIKeyBCAHLQGGILGLFO-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.60
Rot. Bonds1

About 5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole

5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole (PubChem CID 112571951) has the molecular formula C10H5ClN2OS and a molecular weight of 236.68 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
PubChem CID112571951
Molecular FormulaC10H5ClN2OS
Molecular Weight236.68 g/mol
Exact Mass235.98
IUPAC Name5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
SMILESClc1noc(-c2cc3ccccc3s2)n1
InChIInChI=1S/C10H5ClN2OS/c11-10-12-9(14-13-10)8-5-6-3-1-2-4-7(6)15-8/h1-5H
InChIKeyBCAHLQGGILGLFO-UHFFFAOYSA-N
XLogP3.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1-benzothiophen-2-yl)-3-chloro-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-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole?
The IUPAC name of 5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole (CID 112571951) is 5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole is Clc1noc(-c2cc3ccccc3s2)n1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole?
The InChIKey is BCAHLQGGILGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2OS/c11-10-12-9(14-13-10)8-5-6-3-1-2-4-7(6)15-8/h1-5H.
What are the key properties of 5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole?
5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole has a molecular weight of 236.68 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole is sourced from PubChem (CID 112571951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).