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

C11H17N3O2 — CID 63015557

IUPAC5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESC1CC(c2noc(C3CCOC3)n2)CCN1
InChIInChI=1S/C11H17N3O2/c1-4-12-5-2-8(1)10-13-11(16-14-10)9-3-6-15-7-9/h8-9,12H,1-7H2
InChIKeyNJPXPQQJRVSIAG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.04
Rot. Bonds2

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

5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 63015557) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID63015557
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESC1CC(c2noc(C3CCOC3)n2)CCN1
InChIInChI=1S/C11H17N3O2/c1-4-12-5-2-8(1)10-13-11(16-14-10)9-3-6-15-7-9/h8-9,12H,1-7H2
InChIKeyNJPXPQQJRVSIAG-UHFFFAOYSA-N
XLogP1.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014845
3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65330329
3-(oxolan-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842339
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65425392
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97330359
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240495
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
5-(azepan-4-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842324

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole (CID 63015557) is 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole is C1CC(c2noc(C3CCOC3)n2)CCN1.
What is the InChIKey of 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is NJPXPQQJRVSIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-12-5-2-8(1)10-13-11(16-14-10)9-3-6-15-7-9/h8-9,12H,1-7H2.
What are the key properties of 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole?
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 223.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63015557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).