4-bromo-5-phenyl-1,2-oxazole

C9H6BrNO — CID 14361579

IUPAC4-bromo-5-phenyl-1,2-oxazole
SMILESBrc1cnoc1-c1ccccc1
InChIInChI=1S/C9H6BrNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H
InChIKeyOPNQYKVNIGKUAF-UHFFFAOYSA-N
MW224.06 g/mol
LogP3.10
Rot. Bonds1

About 4-bromo-5-phenyl-1,2-oxazole

4-bromo-5-phenyl-1,2-oxazole (PubChem CID 14361579) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 4-bromo-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-5-phenyl-1,2-oxazole
PubChem CID14361579
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name4-bromo-5-phenyl-1,2-oxazole
SMILESBrc1cnoc1-c1ccccc1
InChIInChI=1S/C9H6BrNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H
InChIKeyOPNQYKVNIGKUAF-UHFFFAOYSA-N
XLogP3.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-5-phenyl-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 4-bromo-5-phenyl-1,2-oxazole?
The IUPAC name of 4-bromo-5-phenyl-1,2-oxazole (CID 14361579) is 4-bromo-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-bromo-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-bromo-5-phenyl-1,2-oxazole is Brc1cnoc1-c1ccccc1.
What is the InChIKey of 4-bromo-5-phenyl-1,2-oxazole?
The InChIKey is OPNQYKVNIGKUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-bromo-5-phenyl-1,2-oxazole?
4-bromo-5-phenyl-1,2-oxazole has a molecular weight of 224.06 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-phenyl-1,2-oxazole is sourced from PubChem (CID 14361579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).