4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

C17H26N4O2 — CID 72854217

IUPAC4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)c1nnc(C2CCC2)o1
InChIInChI=1S/C17H26N4O2/c1-20(17-19-18-16(23-17)13-5-4-6-13)10-12-9-15(22)21(11-12)14-7-2-3-8-14/h12-14H,2-11H2,1H3
InChIKeyAMKSMWGWWUEDQN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.56
Rot. Bonds5

About 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 72854217) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
PubChem CID72854217
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)c1nnc(C2CCC2)o1
InChIInChI=1S/C17H26N4O2/c1-20(17-19-18-16(23-17)13-5-4-6-13)10-12-9-15(22)21(11-12)14-7-2-3-8-14/h12-14H,2-11H2,1H3
InChIKeyAMKSMWGWWUEDQN-UHFFFAOYSA-N
XLogP2.56
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (CID 72854217) is 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is CN(CC1CC(=O)N(C2CCCC2)C1)c1nnc(C2CCC2)o1.
What is the InChIKey of 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is AMKSMWGWWUEDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(17-19-18-16(23-17)13-5-4-6-13)10-12-9-15(22)21(11-12)14-7-2-3-8-14/h12-14H,2-11H2,1H3.
What are the key properties of 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 72854217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).