3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione

C14H14N4O3 — CID 106397819

IUPAC3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ncon2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H14N4O3/c19-13-8-11(15-7-6-12-16-9-21-17-12)14(20)18(13)10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2
InChIKeyUOHASPUYOXRHQK-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.53
Rot. Bonds5

About 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione

3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 106397819) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID106397819
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ncon2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H14N4O3/c19-13-8-11(15-7-6-12-16-9-21-17-12)14(20)18(13)10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2
InChIKeyUOHASPUYOXRHQK-UHFFFAOYSA-N
XLogP0.53
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.53
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-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
1-phenyl-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
CID 61459850
3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 3135049
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
1-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrrolidine-2,5-dione
CID 106427348
3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
CID 61325731
3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 4064727
(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130913

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione (CID 106397819) is 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione is O=C1CC(NCCc2ncon2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is UOHASPUYOXRHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13-8-11(15-7-6-12-16-9-21-17-12)14(20)18(13)10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2.
What are the key properties of 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 286.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 106397819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).