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

C16H12BrClN2O — CID 107984272

IUPAC5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C16H12BrClN2O/c1-9-3-2-4-12(14(9)17)15-13(16(19)20-21-15)10-5-7-11(18)8-6-10/h2-8H,1H3,(H2,19,20)
InChIKeyONNOHPVCQDCJRT-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.32
Rot. Bonds2

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

5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine (PubChem CID 107984272) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
PubChem CID107984272
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C16H12BrClN2O/c1-9-3-2-4-12(14(9)17)15-13(16(19)20-21-15)10-5-7-11(18)8-6-10/h2-8H,1H3,(H2,19,20)
InChIKeyONNOHPVCQDCJRT-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

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Related Compounds

4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200527
4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
CID 82879782
5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 107984276
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
4-(3,4-dichlorophenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66200018
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
CID 104673131
5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200871
4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66201119
5-(2-chloro-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 81448884
5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66198471
5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 82878281

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine (CID 107984272) is 5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine is Cc1cccc(-c2onc(N)c2-c2ccc(Cl)cc2)c1Br.
What is the InChIKey of 5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is ONNOHPVCQDCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-3-2-4-12(14(9)17)15-13(16(19)20-21-15)10-5-7-11(18)8-6-10/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-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 5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 107984272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).