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

C13H21N3O2 — CID 72851053

IUPAC5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCCN1CCC(c2nc(C3CCOC3)no2)CC1
InChIInChI=1S/C13H21N3O2/c1-2-16-6-3-10(4-7-16)13-14-12(15-18-13)11-5-8-17-9-11/h10-11H,2-9H2,1H3
InChIKeyFRMDVGZHLDUPKI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.77
Rot. Bonds3

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

5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72851053) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72851053
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCCN1CCC(c2nc(C3CCOC3)no2)CC1
InChIInChI=1S/C13H21N3O2/c1-2-16-6-3-10(4-7-16)13-14-12(15-18-13)11-5-8-17-9-11/h10-11H,2-9H2,1H3
InChIKeyFRMDVGZHLDUPKI-UHFFFAOYSA-N
XLogP1.77
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72851053) is 5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is CCN1CCC(c2nc(C3CCOC3)no2)CC1.
What is the InChIKey of 5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is FRMDVGZHLDUPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-16-6-3-10(4-7-16)13-14-12(15-18-13)11-5-8-17-9-11/h10-11H,2-9H2,1H3.
What are the key properties of 5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpiperidin-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72851053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).