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

C16H12BrClN2O — CID 107988922

IUPAC3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2ccc(Cl)c(Br)c2)noc1N
InChIInChI=1S/C16H12BrClN2O/c1-9-4-2-3-5-11(9)14-15(20-21-16(14)19)10-6-7-13(18)12(17)8-10/h2-8H,19H2,1H3
InChIKeyONCCYTUSAKUUOM-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.32
Rot. Bonds2

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

3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 107988922) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID107988922
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2ccc(Cl)c(Br)c2)noc1N
InChIInChI=1S/C16H12BrClN2O/c1-9-4-2-3-5-11(9)14-15(20-21-16(14)19)10-6-7-13(18)12(17)8-10/h2-8H,19H2,1H3
InChIKeyONCCYTUSAKUUOM-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

3-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 81460037
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine
CID 81317351
3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 106854737
3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 81294873
3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107962857
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 104853236

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (CID 107988922) is 3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccccc1-c1c(-c2ccc(Cl)c(Br)c2)noc1N.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is ONCCYTUSAKUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-4-2-3-5-11(9)14-15(20-21-16(14)19)10-6-7-13(18)12(17)8-10/h2-8H,19H2,1H3.
What are the key properties of 3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-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 3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107988922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).