5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole

C13H8ClN3O — CID 20594130

IUPAC5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C13H8ClN3O/c14-11-7-6-10(8-15-11)13-16-12(17-18-13)9-4-2-1-3-5-9/h1-8H
InChIKeyFUMZEWLBJHGPCU-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.45
Rot. Bonds2

About 5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole

5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 20594130) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID20594130
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C13H8ClN3O/c14-11-7-6-10(8-15-11)13-16-12(17-18-13)9-4-2-1-3-5-9/h1-8H
InChIKeyFUMZEWLBJHGPCU-UHFFFAOYSA-N
XLogP3.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(6-chloro-3-pyridinyl)-3-phenyl-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-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole (CID 20594130) is 5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FUMZEWLBJHGPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-11-7-6-10(8-15-11)13-16-12(17-18-13)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole?
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 257.68 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 20594130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).