5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole

C13H23N3OS — CID 65134669

IUPAC5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCC(C)SCc1noc(CCC2CCNCC2)n1
InChIInChI=1S/C13H23N3OS/c1-10(2)18-9-12-15-13(17-16-12)4-3-11-5-7-14-8-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyUEHQVUZHTJQENH-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.64
Rot. Bonds6

About 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole

5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 65134669) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID65134669
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCC(C)SCc1noc(CCC2CCNCC2)n1
InChIInChI=1S/C13H23N3OS/c1-10(2)18-9-12-15-13(17-16-12)4-3-11-5-7-14-8-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyUEHQVUZHTJQENH-UHFFFAOYSA-N
XLogP2.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65130592
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 62216698
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530
N-methyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120841860
3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 103985671
3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 113391100
3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216870
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493
5-(3-chloropropyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134539
5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502682
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 65134669) is 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole is CC(C)SCc1noc(CCC2CCNCC2)n1.
What is the InChIKey of 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is UEHQVUZHTJQENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(2)18-9-12-15-13(17-16-12)4-3-11-5-7-14-8-6-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 269.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65134669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).