4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine

C16H12BrClN2O — CID 82879782

IUPAC4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(Cl)cc1-c1onc(N)c1-c1ccc(Br)cc1
InChIInChI=1S/C16H12BrClN2O/c1-9-2-7-12(18)8-13(9)15-14(16(19)20-21-15)10-3-5-11(17)6-4-10/h2-8H,1H3,(H2,19,20)
InChIKeyHWVCSACTSUAANJ-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.32
Rot. Bonds2

About 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine

4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 82879782) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID82879782
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(Cl)cc1-c1onc(N)c1-c1ccc(Br)cc1
InChIInChI=1S/C16H12BrClN2O/c1-9-2-7-12(18)8-13(9)15-14(16(19)20-21-15)10-3-5-11(17)6-4-10/h2-8H,1H3,(H2,19,20)
InChIKeyHWVCSACTSUAANJ-UHFFFAOYSA-N
XLogP5.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.64
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-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

5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66198471
5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine
CID 82890379
5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 107984272
5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
CID 107954796
5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200871
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199070
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1,2-oxazol-3-amine
CID 106690627
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66199515
4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
CID 104673131
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine (CID 82879782) is 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(Cl)cc1-c1onc(N)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is HWVCSACTSUAANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-2-7-12(18)8-13(9)15-14(16(19)20-21-15)10-3-5-11(17)6-4-10/h2-8H,1H3,(H2,19,20).
What are the key properties of 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine?
4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 363.64 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82879782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).