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

C18H22N4O2 — CID 120850151

IUPAC4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
SMILESNC1(c2noc(C3CC(=O)N(Cc4ccccc4)C3)n2)CCCC1
InChIInChI=1S/C18H22N4O2/c19-18(8-4-5-9-18)17-20-16(24-21-17)14-10-15(23)22(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,19H2
InChIKeyZJYMAMVRIZCMHQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.31
Rot. Bonds4

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

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one (PubChem CID 120850151) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
PubChem CID120850151
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
SMILESNC1(c2noc(C3CC(=O)N(Cc4ccccc4)C3)n2)CCCC1
InChIInChI=1S/C18H22N4O2/c19-18(8-4-5-9-18)17-20-16(24-21-17)14-10-15(23)22(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,19H2
InChIKeyZJYMAMVRIZCMHQ-UHFFFAOYSA-N
XLogP2.31
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.31
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-ethylpyrrolidin-2-one
CID 120853207
1-[5-(1-benzylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852442
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;hydrochloride
CID 120855663
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120856245
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-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 120863736
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride
CID 120861175
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 120862748
[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one?
The IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one (CID 120850151) is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one is NC1(c2noc(C3CC(=O)N(Cc4ccccc4)C3)n2)CCCC1.
What is the InChIKey of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one?
The InChIKey is ZJYMAMVRIZCMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-18(8-4-5-9-18)17-20-16(24-21-17)14-10-15(23)22(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,19H2.
What are the key properties of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one?
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.31, 4 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-benzylpyrrolidin-2-one is sourced from PubChem (CID 120850151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).