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

C16H28N4O3 — CID 119817735

IUPACN-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)COC(C)c1noc(CN(C)C(=O)CC2CCCN2)n1
InChIInChI=1S/C16H28N4O3/c1-11(2)10-22-12(3)16-18-14(23-19-16)9-20(4)15(21)8-13-6-5-7-17-13/h11-13,17H,5-10H2,1-4H3
InChIKeyIXYLGJINYATOTR-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.90
Rot. Bonds8

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

N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119817735) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119817735
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)COC(C)c1noc(CN(C)C(=O)CC2CCCN2)n1
InChIInChI=1S/C16H28N4O3/c1-11(2)10-22-12(3)16-18-14(23-19-16)9-20(4)15(21)8-13-6-5-7-17-13/h11-13,17H,5-10H2,1-4H3
InChIKeyIXYLGJINYATOTR-UHFFFAOYSA-N
XLogP1.90
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide (CID 119817735) is N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide is CC(C)COC(C)c1noc(CN(C)C(=O)CC2CCCN2)n1.
What is the InChIKey of N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is IXYLGJINYATOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(2)10-22-12(3)16-18-14(23-19-16)9-20(4)15(21)8-13-6-5-7-17-13/h11-13,17H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide?
N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 324.43 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119817735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).