3-(4-fluorophenyl)-1,2-oxazole

C9H6FNO — CID 12982545

IUPAC3-(4-fluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2ccon2)cc1
InChIInChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-6H
InChIKeyJTIYGAJCKRGUBV-UHFFFAOYSA-N
MW163.15 g/mol
LogP2.48
Rot. Bonds1

About 3-(4-fluorophenyl)-1,2-oxazole

3-(4-fluorophenyl)-1,2-oxazole (PubChem CID 12982545) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1,2-oxazole
PubChem CID12982545
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name3-(4-fluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2ccon2)cc1
InChIInChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-6H
InChIKeyJTIYGAJCKRGUBV-UHFFFAOYSA-N
XLogP2.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-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-(4-fluorophenyl)-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-1,2-oxazole (CID 12982545) is 3-(4-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-1,2-oxazole is Fc1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1,2-oxazole?
The InChIKey is JTIYGAJCKRGUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-6H.
What are the key properties of 3-(4-fluorophenyl)-1,2-oxazole?
3-(4-fluorophenyl)-1,2-oxazole has a molecular weight of 163.15 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 12982545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).