5-(3,5-dibromophenyl)-1,3-oxazole

C9H5Br2NO — CID 91400423

IUPAC5-(3,5-dibromophenyl)-1,3-oxazole
SMILESBrc1cc(Br)cc(-c2cnco2)c1
InChIInChI=1S/C9H5Br2NO/c10-7-1-6(2-8(11)3-7)9-4-12-5-13-9/h1-5H
InChIKeyLCIJILJRUSGBCV-UHFFFAOYSA-N
MW302.95 g/mol
LogP3.87
Rot. Bonds1

About 5-(3,5-dibromophenyl)-1,3-oxazole

5-(3,5-dibromophenyl)-1,3-oxazole (PubChem CID 91400423) has the molecular formula C9H5Br2NO and a molecular weight of 302.95 g/mol. Its IUPAC name is 5-(3,5-dibromophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3,5-dibromophenyl)-1,3-oxazole
PubChem CID91400423
Molecular FormulaC9H5Br2NO
Molecular Weight302.95 g/mol
Exact Mass300.87
IUPAC Name5-(3,5-dibromophenyl)-1,3-oxazole
SMILESBrc1cc(Br)cc(-c2cnco2)c1
InChIInChI=1S/C9H5Br2NO/c10-7-1-6(2-8(11)3-7)9-4-12-5-13-9/h1-5H
InChIKeyLCIJILJRUSGBCV-UHFFFAOYSA-N
XLogP3.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.95
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3,5-dibromophenyl)-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-(3,5-dibromophenyl)-1,3-oxazole?
The IUPAC name of 5-(3,5-dibromophenyl)-1,3-oxazole (CID 91400423) is 5-(3,5-dibromophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3,5-dibromophenyl)-1,3-oxazole?
The canonical SMILES for 5-(3,5-dibromophenyl)-1,3-oxazole is Brc1cc(Br)cc(-c2cnco2)c1.
What is the InChIKey of 5-(3,5-dibromophenyl)-1,3-oxazole?
The InChIKey is LCIJILJRUSGBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO/c10-7-1-6(2-8(11)3-7)9-4-12-5-13-9/h1-5H.
What are the key properties of 5-(3,5-dibromophenyl)-1,3-oxazole?
5-(3,5-dibromophenyl)-1,3-oxazole has a molecular weight of 302.95 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dibromophenyl)-1,3-oxazole is sourced from PubChem (CID 91400423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).