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

C15H9BrCl2N2O — CID 107988958

IUPAC3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)cc2Br)c1-c1ccccc1Cl
InChIInChI=1S/C15H9BrCl2N2O/c16-11-7-8(17)5-6-9(11)14-13(15(19)21-20-14)10-3-1-2-4-12(10)18/h1-7H,19H2
InChIKeyXJLHFNNMGYQYHY-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.66
Rot. Bonds2

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

3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 107988958) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID107988958
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)cc2Br)c1-c1ccccc1Cl
InChIInChI=1S/C15H9BrCl2N2O/c16-11-7-8(17)5-6-9(11)14-13(15(19)21-20-14)10-3-1-2-4-12(10)18/h1-7H,19H2
InChIKeyXJLHFNNMGYQYHY-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

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Related Compounds

3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107988970
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335963
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 83913780
3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 106687987
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine (CID 107988958) is 3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Cl)cc2Br)c1-c1ccccc1Cl.
What is the InChIKey of 3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is XJLHFNNMGYQYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-11-7-8(17)5-6-9(11)14-13(15(19)21-20-14)10-3-1-2-4-12(10)18/h1-7H,19H2.
What are the key properties of 3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine?
3-(2-bromo-4-chlorophenyl)-4-(2-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-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107988958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).