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

C15H9BrCl2N2O — CID 81291675

IUPAC3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)c(Cl)c2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9BrCl2N2O/c16-11-6-3-9(7-12(11)18)14-13(15(19)21-20-14)8-1-4-10(17)5-2-8/h1-7H,19H2
InChIKeyMZTDECZJXGHCOI-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.66
Rot. Bonds2

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

3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 81291675) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID81291675
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)c(Cl)c2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9BrCl2N2O/c16-11-6-3-9(7-12(11)18)14-13(15(19)21-20-14)8-1-4-10(17)5-2-8/h1-7H,19H2
InChIKeyMZTDECZJXGHCOI-UHFFFAOYSA-N
XLogP5.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.06
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-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-phenyl-1,2-oxazol-5-amine
CID 81294873
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
CID 67197115
3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107988922
4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
CID 106753207
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670785

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine (CID 81291675) is 3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)c(Cl)c2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is MZTDECZJXGHCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-11-6-3-9(7-12(11)18)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-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine has a molecular weight of 384.06 g/mol, XLogP of 5.66, 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-(4-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 81291675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).