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

C12H19N3O3 — CID 65330329

IUPAC3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESC1CC(OCc2nc(C3CCOC3)no2)CCN1
InChIInChI=1S/C12H19N3O3/c1-4-13-5-2-10(1)17-8-11-14-12(15-18-11)9-3-6-16-7-9/h9-10,13H,1-8H2
InChIKeyWQJMRUHDAUDJPV-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.84
Rot. Bonds4

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

3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 65330329) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
PubChem CID65330329
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESC1CC(OCc2nc(C3CCOC3)no2)CCN1
InChIInChI=1S/C12H19N3O3/c1-4-13-5-2-10(1)17-8-11-14-12(15-18-11)9-3-6-16-7-9/h9-10,13H,1-8H2
InChIKeyWQJMRUHDAUDJPV-UHFFFAOYSA-N
XLogP0.84
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (CID 65330329) is 3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is C1CC(OCc2nc(C3CCOC3)no2)CCN1.
What is the InChIKey of 3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is WQJMRUHDAUDJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-13-5-2-10(1)17-8-11-14-12(15-18-11)9-3-6-16-7-9/h9-10,13H,1-8H2.
What are the key properties of 3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 253.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65330329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).