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

C12H19N3O2 — CID 63014845

IUPAC5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESC1CCC(c2nc(C3CCNCC3)no2)OC1
InChIInChI=1S/C12H19N3O2/c1-2-8-16-10(3-1)12-14-11(15-17-12)9-4-6-13-7-5-9/h9-10,13H,1-8H2
InChIKeyLUBOSYHQTJVDQW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.78
Rot. Bonds2

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

5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 63014845) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID63014845
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESC1CCC(c2nc(C3CCNCC3)no2)OC1
InChIInChI=1S/C12H19N3O2/c1-2-8-16-10(3-1)12-14-11(15-17-12)9-4-6-13-7-5-9/h9-10,13H,1-8H2
InChIKeyLUBOSYHQTJVDQW-UHFFFAOYSA-N
XLogP1.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole (CID 63014845) is 5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole is C1CCC(c2nc(C3CCNCC3)no2)OC1.
What is the InChIKey of 5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is LUBOSYHQTJVDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-8-16-10(3-1)12-14-11(15-17-12)9-4-6-13-7-5-9/h9-10,13H,1-8H2.
What are the key properties of 5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 237.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63014845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).