3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium

C14H9ClN2O2 — CID 15466843

IUPAC3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium
SMILES[O-][n+]1c(-c2ccc(Cl)cc2)noc1-c1ccccc1
InChIInChI=1S/C14H9ClN2O2/c15-12-8-6-10(7-9-12)13-16-19-14(17(13)18)11-4-2-1-3-5-11/h1-9H
InChIKeyKIVINSPNIKNRRP-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.30
Rot. Bonds2

About 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium

3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium (PubChem CID 15466843) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium
PubChem CID15466843
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium
SMILES[O-][n+]1c(-c2ccc(Cl)cc2)noc1-c1ccccc1
InChIInChI=1S/C14H9ClN2O2/c15-12-8-6-10(7-9-12)13-16-19-14(17(13)18)11-4-2-1-3-5-11/h1-9H
InChIKeyKIVINSPNIKNRRP-UHFFFAOYSA-N
XLogP3.30
TPSA52.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium 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-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium?
The IUPAC name of 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium (CID 15466843) is 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium.
What is the SMILES notation for 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium?
The canonical SMILES for 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium is [O-][n+]1c(-c2ccc(Cl)cc2)noc1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium?
The InChIKey is KIVINSPNIKNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-12-8-6-10(7-9-12)13-16-19-14(17(13)18)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium?
3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium has a molecular weight of 272.69 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-oxido-5-phenyl-1,2,4-oxadiazol-4-ium is sourced from PubChem (CID 15466843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).