2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole

C15H12INO — CID 14853168

IUPAC2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESIc1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C15H12INO/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyWETOVIQWBQGOAH-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.81
Rot. Bonds2

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

2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 14853168) has the molecular formula C15H12INO and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID14853168
Molecular FormulaC15H12INO
Molecular Weight349.17 g/mol
Exact Mass349.00
IUPAC Name2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESIc1ccccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C15H12INO/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyWETOVIQWBQGOAH-UHFFFAOYSA-N
XLogP3.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-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 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 14853168) is 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is Ic1ccccc1C1=NC(c2ccccc2)CO1.
What is the InChIKey of 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is WETOVIQWBQGOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 349.17 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).