2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine

C12H8BrN3O — CID 55154764

IUPAC2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc(Br)cn3)nc2c1
InChIInChI=1S/C12H8BrN3O/c13-7-1-3-9(15-6-7)12-16-10-5-8(14)2-4-11(10)17-12/h1-6H,14H2
InChIKeyLXQQQHBEBLZFQI-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.23
Rot. Bonds1

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

2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine (PubChem CID 55154764) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine
PubChem CID55154764
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc(Br)cn3)nc2c1
InChIInChI=1S/C12H8BrN3O/c13-7-1-3-9(15-6-7)12-16-10-5-8(14)2-4-11(10)17-12/h1-6H,14H2
InChIKeyLXQQQHBEBLZFQI-UHFFFAOYSA-N
XLogP3.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine
CID 113435871
5-(5-bromo-1,3-benzoxazol-2-yl)benzene-1,3-diamine
CID 114003786
2-(3-bromothiophen-2-yl)-1,3-benzoxazol-5-amine
CID 63797921
2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine
CID 114021263
2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
2-(5-bromo-1-propylpyridin-1-ium-3-yl)-1,3-benzoxazol-5-amine iodide
CID 102552511
6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine
CID 115110800
[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81100047
2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-benzoxazol-6-amine
CID 61371805
2-[3-(aminomethyl)-4-bromophenyl]-1,3-benzoxazol-5-amine
CID 150669523
[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098637
[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098943

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine (CID 55154764) is 2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3ccc(Br)cn3)nc2c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine?
The InChIKey is LXQQQHBEBLZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-7-1-3-9(15-6-7)12-16-10-5-8(14)2-4-11(10)17-12/h1-6H,14H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine?
2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine has a molecular weight of 290.12 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 55154764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).