4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine

C9H6BrClN2O — CID 83913780

IUPAC4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2Cl)c1Br
InChIInChI=1S/C9H6BrClN2O/c10-7-8(13-14-9(7)12)5-3-1-2-4-6(5)11/h1-4H,12H2
InChIKeyRAPVCDGLKOXOMA-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.34
Rot. Bonds1

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

4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 83913780) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID83913780
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2Cl)c1Br
InChIInChI=1S/C9H6BrClN2O/c10-7-8(13-14-9(7)12)5-3-1-2-4-6(5)11/h1-4H,12H2
InChIKeyRAPVCDGLKOXOMA-UHFFFAOYSA-N
XLogP3.34
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-(2-chlorophenyl)-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

Related Compounds

3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 107988958
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 106687987
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 62276503
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 79555769
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
CID 43335560
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole
CID 67513146

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine (CID 83913780) is 4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2Cl)c1Br.
What is the InChIKey of 4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is RAPVCDGLKOXOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c10-7-8(13-14-9(7)12)5-3-1-2-4-6(5)11/h1-4H,12H2.
What are the key properties of 4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine?
4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine has a molecular weight of 273.52 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 83913780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).