3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole

C15H26N4O — CID 120899647

IUPAC3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCN2CC2(C)CCNC2)no1
InChIInChI=1S/C15H26N4O/c1-11(2)14-17-13(18-20-14)12-5-4-8-19(12)10-15(3)6-7-16-9-15/h11-12,16H,4-10H2,1-3H3
InChIKeyZFJGFKJCUYAYBU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.33
Rot. Bonds4

About 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole

3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 120899647) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID120899647
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCN2CC2(C)CCNC2)no1
InChIInChI=1S/C15H26N4O/c1-11(2)14-17-13(18-20-14)12-5-4-8-19(12)10-15(3)6-7-16-9-15/h11-12,16H,4-10H2,1-3H3
InChIKeyZFJGFKJCUYAYBU-UHFFFAOYSA-N
XLogP2.33
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

2-propan-2-yl-5-[[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95769217
3-[1-(piperidin-3-ylmethyl)azepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole;hydrochloride
CID 120856323
1-[(3-methylpyrrolidin-3-yl)methyl]-2-pyridin-4-ylazepane
CID 120897267
1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride
CID 120900705
1-[(3-methylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)pyrrolidine
CID 120900015
2-cyclopentyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899104
3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119767317
1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
CID 120897555
2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120899896
5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide
CID 167878547
3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 139013419
2-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899808

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 120899647) is 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(C2CCCN2CC2(C)CCNC2)no1.
What is the InChIKey of 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is ZFJGFKJCUYAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)14-17-13(18-20-14)12-5-4-8-19(12)10-15(3)6-7-16-9-15/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 120899647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).