5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine

C13H7Br2ClN2O — CID 107939138

IUPAC5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine
SMILESNc1cc(Br)cc2nc(-c3cc(Cl)cc(Br)c3)oc12
InChIInChI=1S/C13H7Br2ClN2O/c14-7-1-6(2-9(16)3-7)13-18-11-5-8(15)4-10(17)12(11)19-13/h1-5H,17H2
InChIKeyAXHOINISYWUFID-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.26
Rot. Bonds1

About 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine

5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine (PubChem CID 107939138) has the molecular formula C13H7Br2ClN2O and a molecular weight of 402.47 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine
PubChem CID107939138
Molecular FormulaC13H7Br2ClN2O
Molecular Weight402.47 g/mol
Exact Mass399.86
IUPAC Name5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine
SMILESNc1cc(Br)cc2nc(-c3cc(Cl)cc(Br)c3)oc12
InChIInChI=1S/C13H7Br2ClN2O/c14-7-1-6(2-9(16)3-7)13-18-11-5-8(15)4-10(17)12(11)19-13/h1-5H,17H2
InChIKeyAXHOINISYWUFID-UHFFFAOYSA-N
XLogP5.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine
CID 107939135
5-bromo-2-(3-fluoro-5-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728991
5-bromo-2-(4-tert-butylphenyl)-1,3-benzoxazol-7-amine
CID 104728796
5-bromo-2-(2,4,6-trifluorophenyl)-1,3-benzoxazol-7-amine
CID 104728988
5-bromo-2-(3-methylphenyl)-1,3-benzoxazol-7-amine
CID 82095595
5-bromo-2-(2,4,5-trimethylfuran-3-yl)-1,3-benzoxazol-7-amine
CID 104728797
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728788
2-(3-bromo-5-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 107944004
2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-4-amine
CID 114018373
5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728890
2-(4-bromophenyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82234229
5-bromo-2-(5-ethylfuran-2-yl)-1,3-benzoxazol-7-amine
CID 104728960

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine (CID 107939138) is 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine is Nc1cc(Br)cc2nc(-c3cc(Cl)cc(Br)c3)oc12.
What is the InChIKey of 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine?
The InChIKey is AXHOINISYWUFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2O/c14-7-1-6(2-9(16)3-7)13-18-11-5-8(15)4-10(17)12(11)19-13/h1-5H,17H2.
What are the key properties of 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine?
5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine has a molecular weight of 402.47 g/mol, XLogP of 5.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 107939138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).