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

C12H19N3O2 — CID 55175292

IUPAC5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESC1CNCC(Cc2noc(C3CCOC3)n2)C1
InChIInChI=1S/C12H19N3O2/c1-2-9(7-13-4-1)6-11-14-12(17-15-11)10-3-5-16-8-10/h9-10,13H,1-8H2
InChIKeyXNFWKQPPBYNONC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds3

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

5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 55175292) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID55175292
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESC1CNCC(Cc2noc(C3CCOC3)n2)C1
InChIInChI=1S/C12H19N3O2/c1-2-9(7-13-4-1)6-11-14-12(17-15-11)10-3-5-16-8-10/h9-10,13H,1-8H2
InChIKeyXNFWKQPPBYNONC-UHFFFAOYSA-N
XLogP1.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxan-4-yl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 86820422
3-(oxan-3-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080678
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 107182887
5-pyrrolidin-2-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115080912
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751
3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080750
1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63221785
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(oxolan-3-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842315
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 55175292) is 5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is C1CNCC(Cc2noc(C3CCOC3)n2)C1.
What is the InChIKey of 5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is XNFWKQPPBYNONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-9(7-13-4-1)6-11-14-12(17-15-11)10-3-5-16-8-10/h9-10,13H,1-8H2.
What are the key properties of 5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 237.30 g/mol, XLogP of 1.12, 3 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-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55175292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).