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

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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).