5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole

C15H20N4O — CID 63125978

IUPAC5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccccn3)no2)CCNCC1
InChIInChI=1S/C15H20N4O/c1-2-6-15(7-10-16-11-8-15)14-18-13(19-20-14)12-5-3-4-9-17-12/h3-5,9,16H,2,6-8,10-11H2,1H3
InChIKeyKESUXEQTOJXTJP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds4

About 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 63125978) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID63125978
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccccn3)no2)CCNCC1
InChIInChI=1S/C15H20N4O/c1-2-6-15(7-10-16-11-8-15)14-18-13(19-20-14)12-5-3-4-9-17-12/h3-5,9,16H,2,6-8,10-11H2,1H3
InChIKeyKESUXEQTOJXTJP-UHFFFAOYSA-N
XLogP2.55
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 63125978) is 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole is CCCC1(c2nc(-c3ccccn3)no2)CCNCC1.
What is the InChIKey of 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is KESUXEQTOJXTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-6-15(7-10-16-11-8-15)14-18-13(19-20-14)12-5-3-4-9-17-12/h3-5,9,16H,2,6-8,10-11H2,1H3.
What are the key properties of 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63125978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).