2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide

C13H11N5O4 — CID 3614940

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nnc(-c2cccnc2)o1
InChIInChI=1S/C13H11N5O4/c19-9(7-18-10(20)3-4-11(18)21)15-13-17-16-12(22-13)8-2-1-5-14-6-8/h1-2,5-6H,3-4,7H2,(H,15,17,19)
InChIKeyFNWQYLGXHQKRJZ-UHFFFAOYSA-N
MW301.26 g/mol
LogP0.22
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 3614940) has the molecular formula C13H11N5O4 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID3614940
Molecular FormulaC13H11N5O4
Molecular Weight301.26 g/mol
Exact Mass301.08
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nnc(-c2cccnc2)o1
InChIInChI=1S/C13H11N5O4/c19-9(7-18-10(20)3-4-11(18)21)15-13-17-16-12(22-13)8-2-1-5-14-6-8/h1-2,5-6H,3-4,7H2,(H,15,17,19)
InChIKeyFNWQYLGXHQKRJZ-UHFFFAOYSA-N
XLogP0.22
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 3614940) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is FNWQYLGXHQKRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O4/c19-9(7-18-10(20)3-4-11(18)21)15-13-17-16-12(22-13)8-2-1-5-14-6-8/h1-2,5-6H,3-4,7H2,(H,15,17,19).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 301.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 3614940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).