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

C14H8Cl2N2O — CID 704271

IUPAC5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)no2)cc1Cl
InChIInChI=1S/C14H8Cl2N2O/c15-11-7-6-10(8-12(11)16)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H
InChIKeyDLMYAGCVYXQROO-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.71
Rot. Bonds2

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

5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 704271) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID704271
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccc3)no2)cc1Cl
InChIInChI=1S/C14H8Cl2N2O/c15-11-7-6-10(8-12(11)16)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H
InChIKeyDLMYAGCVYXQROO-UHFFFAOYSA-N
XLogP4.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole (CID 704271) is 5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3ccccc3)no2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is DLMYAGCVYXQROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-11-7-6-10(8-12(11)16)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole?
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 291.14 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 704271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).