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

C15H9BrClFN2O — CID 66197904

IUPAC5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)cc(Br)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H9BrClFN2O/c16-10-4-9(6-12(18)7-10)14-13(15(19)20-21-14)8-2-1-3-11(17)5-8/h1-7H,(H2,19,20)
InChIKeyZBIIEJMEQZWXKT-UHFFFAOYSA-N
MW367.61 g/mol
LogP5.15
Rot. Bonds2

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

5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66197904) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
PubChem CID66197904
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)cc(Br)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H9BrClFN2O/c16-10-4-9(6-12(18)7-10)14-13(15(19)20-21-14)8-2-1-3-11(17)5-8/h1-7H,(H2,19,20)
InChIKeyZBIIEJMEQZWXKT-UHFFFAOYSA-N
XLogP5.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.61
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-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 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine (CID 66197904) is 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(F)cc(Br)c2)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is ZBIIEJMEQZWXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-10-4-9(6-12(18)7-10)14-13(15(19)20-21-14)8-2-1-3-11(17)5-8/h1-7H,(H2,19,20).
What are the key properties of 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine?
5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 367.61 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66197904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).