3-chloro-4-phenyl-1,2,5-oxadiazole

C8H5ClN2O — CID 13172314

IUPAC3-chloro-4-phenyl-1,2,5-oxadiazole
SMILESClc1nonc1-c1ccccc1
InChIInChI=1S/C8H5ClN2O/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H
InChIKeyXPNVNMPGTQWLOK-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.39
Rot. Bonds1

About 3-chloro-4-phenyl-1,2,5-oxadiazole

3-chloro-4-phenyl-1,2,5-oxadiazole (PubChem CID 13172314) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 3-chloro-4-phenyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-chloro-4-phenyl-1,2,5-oxadiazole
PubChem CID13172314
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name3-chloro-4-phenyl-1,2,5-oxadiazole
SMILESClc1nonc1-c1ccccc1
InChIInChI=1S/C8H5ClN2O/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H
InChIKeyXPNVNMPGTQWLOK-UHFFFAOYSA-N
XLogP2.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-phenyl-1,2,5-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-chloro-4-phenyl-1,2,5-oxadiazole?
The IUPAC name of 3-chloro-4-phenyl-1,2,5-oxadiazole (CID 13172314) is 3-chloro-4-phenyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-chloro-4-phenyl-1,2,5-oxadiazole?
The canonical SMILES for 3-chloro-4-phenyl-1,2,5-oxadiazole is Clc1nonc1-c1ccccc1.
What is the InChIKey of 3-chloro-4-phenyl-1,2,5-oxadiazole?
The InChIKey is XPNVNMPGTQWLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 3-chloro-4-phenyl-1,2,5-oxadiazole?
3-chloro-4-phenyl-1,2,5-oxadiazole has a molecular weight of 180.59 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-phenyl-1,2,5-oxadiazole is sourced from PubChem (CID 13172314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).