4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one

C13H12N4O2 — CID 168686728

IUPAC4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C13H12N4O2/c1-2-9-6-11(18)17(8-9)13-16-15-12(19-13)10-4-3-5-14-7-10/h2-5,7,9H,1,6,8H2
InChIKeyXABWSQKNJJUOJY-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.67
Rot. Bonds3

About 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one

4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one (PubChem CID 168686728) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
PubChem CID168686728
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C13H12N4O2/c1-2-9-6-11(18)17(8-9)13-16-15-12(19-13)10-4-3-5-14-7-10/h2-5,7,9H,1,6,8H2
InChIKeyXABWSQKNJJUOJY-UHFFFAOYSA-N
XLogP1.67
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710813
1-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710808
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
4-ethenyl-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168685936
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686184
4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 168664338
5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 21031007
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168686545
4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one
CID 168686565
1-(5-bromo-1,3-benzoxazol-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686637

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one (CID 168686728) is 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one is C=CC1CC(=O)N(c2nnc(-c3cccnc3)o2)C1.
What is the InChIKey of 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one?
The InChIKey is XABWSQKNJJUOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-9-6-11(18)17(8-9)13-16-15-12(19-13)10-4-3-5-14-7-10/h2-5,7,9H,1,6,8H2.
What are the key properties of 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one?
4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168686728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).