1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

C13H14N4O2 — CID 110875793

IUPAC1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C13H14N4O2/c1-9(18)17-7-5-10(8-17)12-15-13(19-16-12)11-4-2-3-6-14-11/h2-4,6,10H,5,7-8H2,1H3
InChIKeyHAVVAIQYUYGRAR-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.47
Rot. Bonds2

About 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 110875793) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID110875793
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C13H14N4O2/c1-9(18)17-7-5-10(8-17)12-15-13(19-16-12)11-4-2-3-6-14-11/h2-4,6,10H,5,7-8H2,1H3
InChIKeyHAVVAIQYUYGRAR-UHFFFAOYSA-N
XLogP1.47
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (CID 110875793) is 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2noc(-c3ccccn3)n2)C1.
What is the InChIKey of 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is HAVVAIQYUYGRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(18)17-7-5-10(8-17)12-15-13(19-16-12)11-4-2-3-6-14-11/h2-4,6,10H,5,7-8H2,1H3.
What are the key properties of 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 258.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110875793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).