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

C15H9BrCl2N2O — CID 107954780

IUPAC5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)cc(Br)c2)c1-c1ccccc1Cl
InChIInChI=1S/C15H9BrCl2N2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)20-21-14)11-3-1-2-4-12(11)18/h1-7H,(H2,19,20)
InChIKeyQOTVEYSXXPTAHJ-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.66
Rot. Bonds2

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

5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine (PubChem CID 107954780) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine
PubChem CID107954780
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)cc(Br)c2)c1-c1ccccc1Cl
InChIInChI=1S/C15H9BrCl2N2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)20-21-14)11-3-1-2-4-12(11)18/h1-7H,(H2,19,20)
InChIKeyQOTVEYSXXPTAHJ-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

4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66207019
5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
CID 107954796
5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954872
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66204576
5-(3-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine
CID 107995505
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198644
5-(3,5-dichlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521472

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine (CID 107954780) is 5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(Cl)cc(Br)c2)c1-c1ccccc1Cl.
What is the InChIKey of 5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is QOTVEYSXXPTAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)20-21-14)11-3-1-2-4-12(11)18/h1-7H,(H2,19,20).
What are the key properties of 5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine?
5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-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 5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 107954780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).