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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 81291675
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260
3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107988922
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039
3-(2-methyl-4-pyridinyl)-4-phenyl-1,2-oxazol-5-amine
CID 106753190

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).