N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide

C13H22N4O3 — CID 91787669

IUPACN-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCCN(Cc1nc(COC)no1)C(=O)CN1CCCC1
InChIInChI=1S/C13H22N4O3/c1-3-17(13(18)9-16-6-4-5-7-16)8-12-14-11(10-19-2)15-20-12/h3-10H2,1-2H3
InChIKeyGYXCGNRDCLFYQU-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.66
Rot. Bonds7

About N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide

N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 91787669) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID91787669
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCCN(Cc1nc(COC)no1)C(=O)CN1CCCC1
InChIInChI=1S/C13H22N4O3/c1-3-17(13(18)9-16-6-4-5-7-16)8-12-14-11(10-19-2)15-20-12/h3-10H2,1-2H3
InChIKeyGYXCGNRDCLFYQU-UHFFFAOYSA-N
XLogP0.66
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide (CID 91787669) is N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide is CCN(Cc1nc(COC)no1)C(=O)CN1CCCC1.
What is the InChIKey of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is GYXCGNRDCLFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-17(13(18)9-16-6-4-5-7-16)8-12-14-11(10-19-2)15-20-12/h3-10H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide?
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 282.34 g/mol, XLogP of 0.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 91787669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).