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

C15H9BrClFN2O — CID 43158132

IUPAC3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9BrClFN2O/c16-9-3-6-11(12(18)7-9)14-13(15(19)21-20-14)8-1-4-10(17)5-2-8/h1-7H,19H2
InChIKeyRYXJFFBITPTRTC-UHFFFAOYSA-N
MW367.61 g/mol
LogP5.15
Rot. Bonds2

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

3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 43158132) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID43158132
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9BrClFN2O/c16-9-3-6-11(12(18)7-9)14-13(15(19)21-20-14)8-1-4-10(17)5-2-8/h1-7H,19H2
InChIKeyRYXJFFBITPTRTC-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine (CID 43158132) is 3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)cc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is RYXJFFBITPTRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-9-3-6-11(12(18)7-9)14-13(15(19)21-20-14)8-1-4-10(17)5-2-8/h1-7H,19H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-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 3-(4-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).