5-chloro-3-(4-iodophenyl)-1,2-oxazole

C9H5ClINO — CID 18612669

IUPAC5-chloro-3-(4-iodophenyl)-1,2-oxazole
SMILESClc1cc(-c2ccc(I)cc2)no1
InChIInChI=1S/C9H5ClINO/c10-9-5-8(12-13-9)6-1-3-7(11)4-2-6/h1-5H
InChIKeyQKGBYUXLDBEEPA-UHFFFAOYSA-N
MW305.50 g/mol
LogP3.60
Rot. Bonds1

About 5-chloro-3-(4-iodophenyl)-1,2-oxazole

5-chloro-3-(4-iodophenyl)-1,2-oxazole (PubChem CID 18612669) has the molecular formula C9H5ClINO and a molecular weight of 305.50 g/mol. Its IUPAC name is 5-chloro-3-(4-iodophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(4-iodophenyl)-1,2-oxazole
PubChem CID18612669
Molecular FormulaC9H5ClINO
Molecular Weight305.50 g/mol
Exact Mass304.91
IUPAC Name5-chloro-3-(4-iodophenyl)-1,2-oxazole
SMILESClc1cc(-c2ccc(I)cc2)no1
InChIInChI=1S/C9H5ClINO/c10-9-5-8(12-13-9)6-1-3-7(11)4-2-6/h1-5H
InChIKeyQKGBYUXLDBEEPA-UHFFFAOYSA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(4-iodophenyl)-1,2-oxazole 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-chloro-3-(4-iodophenyl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(4-iodophenyl)-1,2-oxazole (CID 18612669) is 5-chloro-3-(4-iodophenyl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(4-iodophenyl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(4-iodophenyl)-1,2-oxazole is Clc1cc(-c2ccc(I)cc2)no1.
What is the InChIKey of 5-chloro-3-(4-iodophenyl)-1,2-oxazole?
The InChIKey is QKGBYUXLDBEEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClINO/c10-9-5-8(12-13-9)6-1-3-7(11)4-2-6/h1-5H.
What are the key properties of 5-chloro-3-(4-iodophenyl)-1,2-oxazole?
5-chloro-3-(4-iodophenyl)-1,2-oxazole has a molecular weight of 305.50 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-iodophenyl)-1,2-oxazole is sourced from PubChem (CID 18612669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).