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

C13H8ClN3O — CID 2031229

IUPAC3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C13H8ClN3O/c14-11-6-2-1-5-10(11)12-16-13(18-17-12)9-4-3-7-15-8-9/h1-8H
InChIKeyOAUYRCJUSNBKPR-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.45
Rot. Bonds2

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

3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 2031229) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID2031229
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C13H8ClN3O/c14-11-6-2-1-5-10(11)12-16-13(18-17-12)9-4-3-7-15-8-9/h1-8H
InChIKeyOAUYRCJUSNBKPR-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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 2031229) is 3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole is Clc1ccccc1-c1noc(-c2cccnc2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is OAUYRCJUSNBKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-11-6-2-1-5-10(11)12-16-13(18-17-12)9-4-3-7-15-8-9/h1-8H.
What are the key properties of 3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-pyridin-3-yl-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 3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2031229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).