[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol

C10H7Br2NO2 — CID 166596801

IUPAC[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(Br)cc2Br)no1
InChIInChI=1S/C10H7Br2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-4,14H,5H2
InChIKeyYAJSFKHFIJWYIL-UHFFFAOYSA-N
MW332.98 g/mol
LogP3.36
Rot. Bonds2

About [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol

[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol (PubChem CID 166596801) has the molecular formula C10H7Br2NO2 and a molecular weight of 332.98 g/mol. Its IUPAC name is [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol
PubChem CID166596801
Molecular FormulaC10H7Br2NO2
Molecular Weight332.98 g/mol
Exact Mass330.88
IUPAC Name[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(Br)cc2Br)no1
InChIInChI=1S/C10H7Br2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-4,14H,5H2
InChIKeyYAJSFKHFIJWYIL-UHFFFAOYSA-N
XLogP3.36
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.98
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol 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-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol (CID 166596801) is [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol is OCc1cc(-c2ccc(Br)cc2Br)no1.
What is the InChIKey of [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol?
The InChIKey is YAJSFKHFIJWYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-4,14H,5H2.
What are the key properties of [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol?
[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol has a molecular weight of 332.98 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 166596801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).