3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole

C14H7Cl3N2O — CID 888221

IUPAC3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3Cl)no2)c(Cl)c1
InChIInChI=1S/C14H7Cl3N2O/c15-8-5-6-10(12(17)7-8)14-18-13(19-20-14)9-3-1-2-4-11(9)16/h1-7H
InChIKeyPPYVGJBQPIQOJA-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.36
Rot. Bonds2

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

3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 888221) has the molecular formula C14H7Cl3N2O and a molecular weight of 325.58 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID888221
Molecular FormulaC14H7Cl3N2O
Molecular Weight325.58 g/mol
Exact Mass323.96
IUPAC Name3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3Cl)no2)c(Cl)c1
InChIInChI=1S/C14H7Cl3N2O/c15-8-5-6-10(12(17)7-8)14-18-13(19-20-14)9-3-1-2-4-11(9)16/h1-7H
InChIKeyPPYVGJBQPIQOJA-UHFFFAOYSA-N
XLogP5.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-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 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole (CID 888221) is 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3ccccc3Cl)no2)c(Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is PPYVGJBQPIQOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O/c15-8-5-6-10(12(17)7-8)14-18-13(19-20-14)9-3-1-2-4-11(9)16/h1-7H.
What are the key properties of 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 325.58 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 888221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).