3-(4-bromophenyl)-1,2-oxazol-5-amine

C9H7BrN2O — CID 5204254

IUPAC3-(4-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyRKWRDXQHQYRFCX-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.69
Rot. Bonds1

About 3-(4-bromophenyl)-1,2-oxazol-5-amine

3-(4-bromophenyl)-1,2-oxazol-5-amine (PubChem CID 5204254) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,2-oxazol-5-amine
PubChem CID5204254
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name3-(4-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyRKWRDXQHQYRFCX-UHFFFAOYSA-N
XLogP2.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-1,2-oxazol-5-amine 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-(4-bromophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1,2-oxazol-5-amine (CID 5204254) is 3-(4-bromophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc(Br)cc2)no1.
What is the InChIKey of 3-(4-bromophenyl)-1,2-oxazol-5-amine?
The InChIKey is RKWRDXQHQYRFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2.
What are the key properties of 3-(4-bromophenyl)-1,2-oxazol-5-amine?
3-(4-bromophenyl)-1,2-oxazol-5-amine has a molecular weight of 239.07 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 5204254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).