[3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine

C10H9BrN2O — CID 57350794

IUPAC[3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine
SMILESNCc1cc(-c2ccccc2Br)no1
InChIInChI=1S/C10H9BrN2O/c11-9-4-2-1-3-8(9)10-5-7(6-12)14-13-10/h1-5H,6,12H2
InChIKeyBWHBJKPBDGQYBH-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.56
Rot. Bonds2

About [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine

[3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine (PubChem CID 57350794) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine
PubChem CID57350794
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name[3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine
SMILESNCc1cc(-c2ccccc2Br)no1
InChIInChI=1S/C10H9BrN2O/c11-9-4-2-1-3-8(9)10-5-7(6-12)14-13-10/h1-5H,6,12H2
InChIKeyBWHBJKPBDGQYBH-UHFFFAOYSA-N
XLogP2.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine 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-bromophenyl)-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine (CID 57350794) is [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine is NCc1cc(-c2ccccc2Br)no1.
What is the InChIKey of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine?
The InChIKey is BWHBJKPBDGQYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-9-4-2-1-3-8(9)10-5-7(6-12)14-13-10/h1-5H,6,12H2.
What are the key properties of [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine?
[3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine has a molecular weight of 253.10 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 57350794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).