3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione

C11H16N4O3 — CID 113252158

IUPAC3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1nc(CNC2CC(=O)N(C(C)C)C2=O)no1
InChIInChI=1S/C11H16N4O3/c1-6(2)15-10(16)4-8(11(15)17)12-5-9-13-7(3)18-14-9/h6,8,12H,4-5H2,1-3H3
InChIKeyGWQCTLDDBGFOOV-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.00
Rot. Bonds4

About 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 113252158) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID113252158
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1nc(CNC2CC(=O)N(C(C)C)C2=O)no1
InChIInChI=1S/C11H16N4O3/c1-6(2)15-10(16)4-8(11(15)17)12-5-9-13-7(3)18-14-9/h6,8,12H,4-5H2,1-3H3
InChIKeyGWQCTLDDBGFOOV-UHFFFAOYSA-N
XLogP0.00
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 103790427
1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
CID 43636535
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 106391885
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one
CID 107911556
3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 63822409
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol
CID 107911715
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 62990591
3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 112697490
1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62997074
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 106104440
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107911419
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 113252158) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione is Cc1nc(CNC2CC(=O)N(C(C)C)C2=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is GWQCTLDDBGFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6(2)15-10(16)4-8(11(15)17)12-5-9-13-7(3)18-14-9/h6,8,12H,4-5H2,1-3H3.
What are the key properties of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 113252158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).