3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one

C11H18N4O2 — CID 106418226

IUPAC3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one
SMILESCCNC1CCN(CCc2nc(C)no2)C1=O
InChIInChI=1S/C11H18N4O2/c1-3-12-9-4-6-15(11(9)16)7-5-10-13-8(2)14-17-10/h9,12H,3-7H2,1-2H3
InChIKeyMCMJZTIVBXWDDR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.13
Rot. Bonds5

About 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one

3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 106418226) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID106418226
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one
SMILESCCNC1CCN(CCc2nc(C)no2)C1=O
InChIInChI=1S/C11H18N4O2/c1-3-12-9-4-6-15(11(9)16)7-5-10-13-8(2)14-17-10/h9,12H,3-7H2,1-2H3
InChIKeyMCMJZTIVBXWDDR-UHFFFAOYSA-N
XLogP0.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one (CID 106418226) is 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one is CCNC1CCN(CCc2nc(C)no2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is MCMJZTIVBXWDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-12-9-4-6-15(11(9)16)7-5-10-13-8(2)14-17-10/h9,12H,3-7H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one?
3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 106418226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).