2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C10H19N3O3 — CID 63757262

IUPAC2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCCOCc1noc(CNCCOC)n1
InChIInChI=1S/C10H19N3O3/c1-3-5-15-8-9-12-10(16-13-9)7-11-4-6-14-2/h11H,3-8H2,1-2H3
InChIKeyAFHZCTSVQPQXHS-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds9

About 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 63757262) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID63757262
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCCOCc1noc(CNCCOC)n1
InChIInChI=1S/C10H19N3O3/c1-3-5-15-8-9-12-10(16-13-9)7-11-4-6-14-2/h11H,3-8H2,1-2H3
InChIKeyAFHZCTSVQPQXHS-UHFFFAOYSA-N
XLogP0.73
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 63757262) is 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCCOCc1noc(CNCCOC)n1.
What is the InChIKey of 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is AFHZCTSVQPQXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-5-15-8-9-12-10(16-13-9)7-11-4-6-14-2/h11H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 0.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63757262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).