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

C15H10BrClN2O — CID 81294873

IUPAC3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)c(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C15H10BrClN2O/c16-11-7-6-10(8-12(11)17)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyQJWXOPFBFGESOJ-UHFFFAOYSA-N
MW349.62 g/mol
LogP5.01
Rot. Bonds2

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

3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 81294873) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID81294873
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)c(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C15H10BrClN2O/c16-11-7-6-10(8-12(11)17)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyQJWXOPFBFGESOJ-UHFFFAOYSA-N
XLogP5.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine (CID 81294873) is 3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)c(Cl)c2)c1-c1ccccc1.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is QJWXOPFBFGESOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-11-7-6-10(8-12(11)17)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of 3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine?
3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 349.62 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 81294873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).