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

C13H8ClN3O — CID 750618

IUPAC5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C13H8ClN3O/c14-11-3-1-10(2-4-11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-8H
InChIKeyFNJUMUGHJAZTOH-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.45
Rot. Bonds2

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

5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 750618) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID750618
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C13H8ClN3O/c14-11-3-1-10(2-4-11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-8H
InChIKeyFNJUMUGHJAZTOH-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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Related Compounds

5-(2,4-dichlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 702922
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665687
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
CID 2746072
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63260076
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
CID 21483705
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
CID 12569996

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 750618) is 5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is FNJUMUGHJAZTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-11-3-1-10(2-4-11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-8H.
What are the key properties of 5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-pyridin-4-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 5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 750618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).