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

C15H9BrClFN2O — CID 66197933

IUPAC5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Br)ccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9BrClFN2O/c16-9-3-6-12(18)11(7-9)14-13(15(19)20-21-14)8-1-4-10(17)5-2-8/h1-7H,(H2,19,20)
InChIKeyVGESKOHYUGBGMT-UHFFFAOYSA-N
MW367.61 g/mol
LogP5.15
Rot. Bonds2

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

5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66197933) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
PubChem CID66197933
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Br)ccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9BrClFN2O/c16-9-3-6-12(18)11(7-9)14-13(15(19)20-21-14)8-1-4-10(17)5-2-8/h1-7H,(H2,19,20)
InChIKeyVGESKOHYUGBGMT-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 5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine (CID 66197933) is 5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(Br)ccc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is VGESKOHYUGBGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-9-3-6-12(18)11(7-9)14-13(15(19)20-21-14)8-1-4-10(17)5-2-8/h1-7H,(H2,19,20).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
5-(5-bromo-2-fluorophenyl)-4-(4-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-(5-bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66197933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).