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

C15H24N4O2 — CID 120856196

IUPAC1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C15H24N4O2/c1-2-6-12(20)19-10-5-7-11(19)13-17-14(18-21-13)15(16)8-3-4-9-15/h11H,2-10,16H2,1H3
InChIKeyNAHQTEMGYLWZNG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds4

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

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one (PubChem CID 120856196) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
PubChem CID120856196
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C15H24N4O2/c1-2-6-12(20)19-10-5-7-11(19)13-17-14(18-21-13)15(16)8-3-4-9-15/h11H,2-10,16H2,1H3
InChIKeyNAHQTEMGYLWZNG-UHFFFAOYSA-N
XLogP2.26
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120852449
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120856245
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120853388
1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 120863736
1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855240
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 120863563
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 90564068
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120854425
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 120861642

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one (CID 120856196) is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCCC1c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is NAHQTEMGYLWZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-6-12(20)19-10-5-7-11(19)13-17-14(18-21-13)15(16)8-3-4-9-15/h11H,2-10,16H2,1H3.
What are the key properties of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one?
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 292.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 120856196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).