N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine

C9H9BrN2O2 — CID 84805431

IUPACN-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine
SMILESCN(O)Cc1onc2cc(Br)ccc12
InChIInChI=1S/C9H9BrN2O2/c1-12(13)5-9-7-3-2-6(10)4-8(7)11-14-9/h2-4,13H,5H2,1H3
InChIKeyGIFGPYJQIJYJJH-UHFFFAOYSA-N
MW257.09 g/mol
LogP2.41
Rot. Bonds2

About N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine

N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine (PubChem CID 84805431) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine
PubChem CID84805431
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC NameN-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine
SMILESCN(O)Cc1onc2cc(Br)ccc12
InChIInChI=1S/C9H9BrN2O2/c1-12(13)5-9-7-3-2-6(10)4-8(7)11-14-9/h2-4,13H,5H2,1H3
InChIKeyGIFGPYJQIJYJJH-UHFFFAOYSA-N
XLogP2.41
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine
CID 84800743
6-bromo-N,N-dimethyl-1,2-benzoxazol-3-amine
CID 131839714
1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone
CID 15556349
5-bromo-3-methyl-2,1-benzoxazole;ethane
CID 90694027
6-bromo-3-ethyl-1,2-benzoxazole
CID 105483617
(6-bromo-1,2-benzoxazol-3-yl)oxythallium
CID 149275042
6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole
CID 84808001
(7-bromoquinolin-4-yl)methanol
CID 57139704
1-(6-bromoquinolin-3-yl)-N,N-dimethylmethanamine
CID 67476121
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
N-(6-bromo-1,2-benzoxazol-3-yl)-3-methylbutanamide
CID 11988535
6-bromo-N-methyl-1,2-benzoxazol-3-amine
CID 84690903

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine (CID 84805431) is N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine is CN(O)Cc1onc2cc(Br)ccc12.
What is the InChIKey of N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine?
The InChIKey is GIFGPYJQIJYJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-12(13)5-9-7-3-2-6(10)4-8(7)11-14-9/h2-4,13H,5H2,1H3.
What are the key properties of N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine?
N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine has a molecular weight of 257.09 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84805431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).