2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C11H19N3O3 — CID 104634060

IUPAC2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(CC2CCCO2)n1
InChIInChI=1S/C11H19N3O3/c1-2-15-7-9(12)11-13-10(17-14-11)6-8-4-3-5-16-8/h8-9H,2-7,12H2,1H3
InChIKeyWGKNYUGKPVHNOM-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.83
Rot. Bonds6

About 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104634060) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104634060
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(CC2CCCO2)n1
InChIInChI=1S/C11H19N3O3/c1-2-15-7-9(12)11-13-10(17-14-11)6-8-4-3-5-16-8/h8-9H,2-7,12H2,1H3
InChIKeyWGKNYUGKPVHNOM-UHFFFAOYSA-N
XLogP0.83
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104634060) is 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CCOCC(N)c1noc(CC2CCCO2)n1.
What is the InChIKey of 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is WGKNYUGKPVHNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-15-7-9(12)11-13-10(17-14-11)6-8-4-3-5-16-8/h8-9H,2-7,12H2,1H3.
What are the key properties of 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 241.29 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104634060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).