1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride

C18H31ClN6O2 — CID 120959398

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
SMILESCCN1CCCC1CN1CC(c2nc(C3CNCCN3C)no2)CC1=O.Cl
InChIInChI=1S/C18H30N6O2.ClH/c1-3-23-7-4-5-14(23)12-24-11-13(9-16(24)25)18-20-17(21-26-18)15-10-19-6-8-22(15)2;/h13-15,19H,3-12H2,1-2H3;1H
InChIKeyJOJWVLJNKIDFBK-UHFFFAOYSA-N
MW398.94 g/mol
LogP0.87
Rot. Bonds5

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride

1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride (PubChem CID 120959398) has the molecular formula C18H31ClN6O2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
PubChem CID120959398
Molecular FormulaC18H31ClN6O2
Molecular Weight398.94 g/mol
Exact Mass398.22
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
SMILESCCN1CCCC1CN1CC(c2nc(C3CNCCN3C)no2)CC1=O.Cl
InChIInChI=1S/C18H30N6O2.ClH/c1-3-23-7-4-5-14(23)12-24-11-13(9-16(24)25)18-20-17(21-26-18)15-10-19-6-8-22(15)2;/h13-15,19H,3-12H2,1-2H3;1H
InChIKeyJOJWVLJNKIDFBK-UHFFFAOYSA-N
XLogP0.87
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 120956441
1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
CID 120956697
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120960207
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 120958198
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 120960373
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 120957246
3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 120958493
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119550702
3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120960065
4-(chloromethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 168506636

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride (CID 120959398) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride is CCN1CCCC1CN1CC(c2nc(C3CNCCN3C)no2)CC1=O.Cl.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
The InChIKey is JOJWVLJNKIDFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2.ClH/c1-3-23-7-4-5-14(23)12-24-11-13(9-16(24)25)18-20-17(21-26-18)15-10-19-6-8-22(15)2;/h13-15,19H,3-12H2,1-2H3;1H.
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120959398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).