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

C13H23N3O — CID 63221554

IUPAC5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCCC(C)c1nc(CC2CCCNC2)no1
InChIInChI=1S/C13H23N3O/c1-3-5-10(2)13-15-12(16-17-13)8-11-6-4-7-14-9-11/h10-11,14H,3-9H2,1-2H3
InChIKeyMJCJZZJHIXOYHJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.52
Rot. Bonds5

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

5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63221554) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID63221554
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCCC(C)c1nc(CC2CCCNC2)no1
InChIInChI=1S/C13H23N3O/c1-3-5-10(2)13-15-12(16-17-13)8-11-6-4-7-14-9-11/h10-11,14H,3-9H2,1-2H3
InChIKeyMJCJZZJHIXOYHJ-UHFFFAOYSA-N
XLogP2.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63221785
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
5-(2-methyl-1,3-thiazol-4-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 65198751
5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 107182887
5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 55175292
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
5-(2-fluoro-3-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 81477680

Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 63221554) is 5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is CCCC(C)c1nc(CC2CCCNC2)no1.
What is the InChIKey of 5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is MJCJZZJHIXOYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-10(2)13-15-12(16-17-13)8-11-6-4-7-14-9-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63221554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).