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

C12H7ClN4O — CID 2820879

IUPAC5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C12H7ClN4O/c13-9-3-1-8(2-4-9)12-16-11(17-18-12)10-7-14-5-6-15-10/h1-7H
InChIKeySYWQQHUTPGARIZ-UHFFFAOYSA-N
MW258.67 g/mol
LogP2.85
Rot. Bonds2

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

5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 2820879) has the molecular formula C12H7ClN4O and a molecular weight of 258.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID2820879
Molecular FormulaC12H7ClN4O
Molecular Weight258.67 g/mol
Exact Mass258.03
IUPAC Name5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C12H7ClN4O/c13-9-3-1-8(2-4-9)12-16-11(17-18-12)10-7-14-5-6-15-10/h1-7H
InChIKeySYWQQHUTPGARIZ-UHFFFAOYSA-N
XLogP2.85
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.67
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-3-pyrazin-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-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 2820879) is 5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3cnccn3)no2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is SYWQQHUTPGARIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O/c13-9-3-1-8(2-4-9)12-16-11(17-18-12)10-7-14-5-6-15-10/h1-7H.
What are the key properties of 5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 258.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2820879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).