5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole

C13H21N3O2 — CID 65331500

IUPAC5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CCCO3)no2)CCCNC1
InChIInChI=1S/C13H21N3O2/c1-2-13(6-4-7-14-9-13)12-15-11(16-18-12)10-5-3-8-17-10/h10,14H,2-9H2,1H3
InChIKeyMADHWKRAOYFALE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.95
Rot. Bonds3

About 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole

5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole (PubChem CID 65331500) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
PubChem CID65331500
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CCCO3)no2)CCCNC1
InChIInChI=1S/C13H21N3O2/c1-2-13(6-4-7-14-9-13)12-15-11(16-18-12)10-5-3-8-17-10/h10,14H,2-9H2,1H3
InChIKeyMADHWKRAOYFALE-UHFFFAOYSA-N
XLogP1.95
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole (CID 65331500) is 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole is CCC1(c2nc(C3CCCO3)no2)CCCNC1.
What is the InChIKey of 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is MADHWKRAOYFALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-13(6-4-7-14-9-13)12-15-11(16-18-12)10-5-3-8-17-10/h10,14H,2-9H2,1H3.
What are the key properties of 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole?
5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65331500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).