5-bromo-2-(2-fluorophenyl)-1,3-oxazole

C9H5BrFNO — CID 117258910

IUPAC5-bromo-2-(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1ncc(Br)o1
InChIInChI=1S/C9H5BrFNO/c10-8-5-12-9(13-8)6-3-1-2-4-7(6)11/h1-5H
InChIKeyODDXRDBLQUZDCT-UHFFFAOYSA-N
MW242.05 g/mol
LogP3.24
Rot. Bonds1

About 5-bromo-2-(2-fluorophenyl)-1,3-oxazole

5-bromo-2-(2-fluorophenyl)-1,3-oxazole (PubChem CID 117258910) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 5-bromo-2-(2-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-(2-fluorophenyl)-1,3-oxazole
PubChem CID117258910
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name5-bromo-2-(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1ncc(Br)o1
InChIInChI=1S/C9H5BrFNO/c10-8-5-12-9(13-8)6-3-1-2-4-7(6)11/h1-5H
InChIKeyODDXRDBLQUZDCT-UHFFFAOYSA-N
XLogP3.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(2-fluorophenyl)-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 5-bromo-2-(2-fluorophenyl)-1,3-oxazole?
The IUPAC name of 5-bromo-2-(2-fluorophenyl)-1,3-oxazole (CID 117258910) is 5-bromo-2-(2-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-(2-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 5-bromo-2-(2-fluorophenyl)-1,3-oxazole is Fc1ccccc1-c1ncc(Br)o1.
What is the InChIKey of 5-bromo-2-(2-fluorophenyl)-1,3-oxazole?
The InChIKey is ODDXRDBLQUZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-8-5-12-9(13-8)6-3-1-2-4-7(6)11/h1-5H.
What are the key properties of 5-bromo-2-(2-fluorophenyl)-1,3-oxazole?
5-bromo-2-(2-fluorophenyl)-1,3-oxazole has a molecular weight of 242.05 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 117258910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).