3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione

C12H18N4O3 — CID 106397757

IUPAC3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCc2ncon2)C1=O
InChIInChI=1S/C12H18N4O3/c1-3-8(4-2)16-11(17)5-9(12(16)18)13-6-10-14-7-19-15-10/h7-9,13H,3-6H2,1-2H3
InChIKeyKAXWIDVRZLLIEK-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.48
Rot. Bonds6

About 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione

3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 106397757) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID106397757
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCc2ncon2)C1=O
InChIInChI=1S/C12H18N4O3/c1-3-8(4-2)16-11(17)5-9(12(16)18)13-6-10-14-7-19-15-10/h7-9,13H,3-6H2,1-2H3
InChIKeyKAXWIDVRZLLIEK-UHFFFAOYSA-N
XLogP0.48
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.48
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

1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61284447
3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 64529830
3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 61004431
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 43638643
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637941
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide
CID 43638073
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 106104436
1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62997074
tert-butyl N-[2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethyl]carbamate
CID 104932989
N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide
CID 115356356
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 106397819
3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 114466994

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione (CID 106397757) is 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione is CCC(CC)N1C(=O)CC(NCc2ncon2)C1=O.
What is the InChIKey of 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is KAXWIDVRZLLIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-8(4-2)16-11(17)5-9(12(16)18)13-6-10-14-7-19-15-10/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione?
3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 106397757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).