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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Related Compounds

3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 131043141
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015557
2-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)morpholine
CID 103972025
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 113391173
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65328340
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65425392
3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780786

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).