3-(2-iodophenyl)-1,2-oxazole

C9H6INO — CID 141216414

IUPAC3-(2-iodophenyl)-1,2-oxazole
SMILESIc1ccccc1-c1ccon1
InChIInChI=1S/C9H6INO/c10-8-4-2-1-3-7(8)9-5-6-12-11-9/h1-6H
InChIKeyNZFBKFTUNOGIHN-UHFFFAOYSA-N
MW271.06 g/mol
LogP2.95
Rot. Bonds1

About 3-(2-iodophenyl)-1,2-oxazole

3-(2-iodophenyl)-1,2-oxazole (PubChem CID 141216414) has the molecular formula C9H6INO and a molecular weight of 271.06 g/mol. Its IUPAC name is 3-(2-iodophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-iodophenyl)-1,2-oxazole
PubChem CID141216414
Molecular FormulaC9H6INO
Molecular Weight271.06 g/mol
Exact Mass270.95
IUPAC Name3-(2-iodophenyl)-1,2-oxazole
SMILESIc1ccccc1-c1ccon1
InChIInChI=1S/C9H6INO/c10-8-4-2-1-3-7(8)9-5-6-12-11-9/h1-6H
InChIKeyNZFBKFTUNOGIHN-UHFFFAOYSA-N
XLogP2.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-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 3-(2-iodophenyl)-1,2-oxazole?
The IUPAC name of 3-(2-iodophenyl)-1,2-oxazole (CID 141216414) is 3-(2-iodophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-iodophenyl)-1,2-oxazole?
The canonical SMILES for 3-(2-iodophenyl)-1,2-oxazole is Ic1ccccc1-c1ccon1.
What is the InChIKey of 3-(2-iodophenyl)-1,2-oxazole?
The InChIKey is NZFBKFTUNOGIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO/c10-8-4-2-1-3-7(8)9-5-6-12-11-9/h1-6H.
What are the key properties of 3-(2-iodophenyl)-1,2-oxazole?
3-(2-iodophenyl)-1,2-oxazole has a molecular weight of 271.06 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)-1,2-oxazole is sourced from PubChem (CID 141216414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).