4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine

C9H11N3O3 — CID 43518708

IUPAC4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine
SMILESCOCCOc1ccc(N)c2nonc12
InChIInChI=1S/C9H11N3O3/c1-13-4-5-14-7-3-2-6(10)8-9(7)12-15-11-8/h2-3H,4-5,10H2,1H3
InChIKeyQBRSDUGSSKTWLI-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.83
Rot. Bonds4

About 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine

4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine (PubChem CID 43518708) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine
PubChem CID43518708
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine
SMILESCOCCOc1ccc(N)c2nonc12
InChIInChI=1S/C9H11N3O3/c1-13-4-5-14-7-3-2-6(10)8-9(7)12-15-11-8/h2-3H,4-5,10H2,1H3
InChIKeyQBRSDUGSSKTWLI-UHFFFAOYSA-N
XLogP0.83
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-2,1,3-benzoxadiazol-7-amine
CID 43518753
3-[(7-amino-2,1,3-benzoxadiazol-4-yl)oxy]propan-1-ol
CID 43518767
4-[(4-bromophenyl)methoxy]-2,1,3-benzoxadiazol-7-amine
CID 82828278
4-(3,5-dimethoxyphenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43589811
5-ethyl-2-(2-methoxyethoxy)aniline
CID 54853265
4-cyclopentyloxy-2,1,3-benzoxadiazol-7-amine
CID 43518651
5-(2-methoxyethoxy)-6-methylpyridin-2-amine
CID 167709087
2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine
CID 174469442
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpyridin-3-amine
CID 104559873
4-(4-chloro-3-methylphenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43518735
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine (CID 43518708) is 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine is COCCOc1ccc(N)c2nonc12.
What is the InChIKey of 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine?
The InChIKey is QBRSDUGSSKTWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-13-4-5-14-7-3-2-6(10)8-9(7)12-15-11-8/h2-3H,4-5,10H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine?
4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine has a molecular weight of 209.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 43518708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).