2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine

C13H7BrCl2N2O — CID 107939135

IUPAC2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(-c3cc(Cl)cc(Br)c3)nc2cc1Cl
InChIInChI=1S/C13H7BrCl2N2O/c14-7-1-6(2-8(15)3-7)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,17H2
InChIKeyREVOHBXULRUAKD-UHFFFAOYSA-N
MW358.02 g/mol
LogP5.15
Rot. Bonds1

About 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine

2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine (PubChem CID 107939135) has the molecular formula C13H7BrCl2N2O and a molecular weight of 358.02 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine
PubChem CID107939135
Molecular FormulaC13H7BrCl2N2O
Molecular Weight358.02 g/mol
Exact Mass355.91
IUPAC Name2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(-c3cc(Cl)cc(Br)c3)nc2cc1Cl
InChIInChI=1S/C13H7BrCl2N2O/c14-7-1-6(2-8(15)3-7)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,17H2
InChIKeyREVOHBXULRUAKD-UHFFFAOYSA-N
XLogP5.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.02
LogP ≤ 55.15
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

5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine
CID 107939138
2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-4-amine
CID 114018373
5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine
CID 114820837
5-chloro-2-(3-chloro-4-iodophenyl)-1,3-benzoxazol-6-amine
CID 103220838
5-chloro-2-(3-iodophenyl)-1,3-benzoxazol-6-amine
CID 113331594
5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine
CID 115539699
5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine
CID 113331623
5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
CID 107096884
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81433223
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine (CID 107939135) is 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine is Nc1cc2oc(-c3cc(Cl)cc(Br)c3)nc2cc1Cl.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine?
The InChIKey is REVOHBXULRUAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O/c14-7-1-6(2-8(15)3-7)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,17H2.
What are the key properties of 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine?
2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine has a molecular weight of 358.02 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine is sourced from PubChem (CID 107939135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).