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

C17H16N4O2S — CID 91915195

IUPAC1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2noc(-c3cccnc3)n2)C1
InChIInChI=1S/C17H16N4O2S/c22-15(9-14-4-2-8-24-14)21-7-5-13(11-21)16-19-17(23-20-16)12-3-1-6-18-10-12/h1-4,6,8,10,13H,5,7,9,11H2
InChIKeyWBYZWGOYKFDYKH-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.75
Rot. Bonds4

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

1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 91915195) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID91915195
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2noc(-c3cccnc3)n2)C1
InChIInChI=1S/C17H16N4O2S/c22-15(9-14-4-2-8-24-14)21-7-5-13(11-21)16-19-17(23-20-16)12-3-1-6-18-10-12/h1-4,6,8,10,13H,5,7,9,11H2
InChIKeyWBYZWGOYKFDYKH-UHFFFAOYSA-N
XLogP2.75
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (CID 91915195) is 1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(c2noc(-c3cccnc3)n2)C1.
What is the InChIKey of 1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is WBYZWGOYKFDYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-15(9-14-4-2-8-24-14)21-7-5-13(11-21)16-19-17(23-20-16)12-3-1-6-18-10-12/h1-4,6,8,10,13H,5,7,9,11H2.
What are the key properties of 1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 340.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 91915195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).