3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one

C13H20N4O2 — CID 146139422

IUPAC3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CNC(=O)C1NCc1noc(C2CCC2)n1
InChIInChI=1S/C13H20N4O2/c1-13(2)7-15-11(18)10(13)14-6-9-16-12(19-17-9)8-4-3-5-8/h8,10,14H,3-7H2,1-2H3,(H,15,18)
InChIKeyGMPKQPWSCJYBIY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.95
Rot. Bonds4

About 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one

3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one (PubChem CID 146139422) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one
PubChem CID146139422
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CNC(=O)C1NCc1noc(C2CCC2)n1
InChIInChI=1S/C13H20N4O2/c1-13(2)7-15-11(18)10(13)14-6-9-16-12(19-17-9)8-4-3-5-8/h8,10,14H,3-7H2,1-2H3,(H,15,18)
InChIKeyGMPKQPWSCJYBIY-UHFFFAOYSA-N
XLogP0.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one with MolForge

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Related Compounds

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N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 107182943
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3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one
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CID 99716030
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
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CID 99716354
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
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7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol
CID 123898412
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
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2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one (CID 146139422) is 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one is CC1(C)CNC(=O)C1NCc1noc(C2CCC2)n1.
What is the InChIKey of 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one?
The InChIKey is GMPKQPWSCJYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2)7-15-11(18)10(13)14-6-9-16-12(19-17-9)8-4-3-5-8/h8,10,14H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one?
3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 146139422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).