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

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Related Compounds

N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one
CID 106421356
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106422000
N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 106418244
3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one
CID 63965198
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422027
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 106422268
3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422050
3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one
CID 82943080
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylazepan-4-amine
CID 106414436
3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
CID 114173849
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 106422049

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).