4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one

C13H20N4O2 — CID 120853207

IUPAC4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2nc(C3(N)CCCC3)no2)CC1=O
InChIInChI=1S/C13H20N4O2/c1-2-17-8-9(7-10(17)18)11-15-12(16-19-11)13(14)5-3-4-6-13/h9H,2-8,14H2,1H3
InChIKeyPODBLBPRXUOJIE-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.13
Rot. Bonds3

About 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one (PubChem CID 120853207) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
PubChem CID120853207
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2nc(C3(N)CCCC3)no2)CC1=O
InChIInChI=1S/C13H20N4O2/c1-2-17-8-9(7-10(17)18)11-15-12(16-19-11)13(14)5-3-4-6-13/h9H,2-8,14H2,1H3
InChIKeyPODBLBPRXUOJIE-UHFFFAOYSA-N
XLogP1.13
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;hydrochloride
CID 120855663
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
CID 120850151
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride
CID 120861175
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 120853112
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 120860230
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 120862748
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120853388
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120854425
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one (CID 120853207) is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one is CCN1CC(c2nc(C3(N)CCCC3)no2)CC1=O.
What is the InChIKey of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one?
The InChIKey is PODBLBPRXUOJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-17-8-9(7-10(17)18)11-15-12(16-19-11)13(14)5-3-4-6-13/h9H,2-8,14H2,1H3.
What are the key properties of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one?
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 120853207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).