3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole

C11H19N3O2S — CID 65131187

IUPAC3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESCCSCc1noc(COC2CCNCC2)n1
InChIInChI=1S/C11H19N3O2S/c1-2-17-8-10-13-11(16-14-10)7-15-9-3-5-12-6-4-9/h9,12H,2-8H2,1H3
InChIKeyUCHLEMLTRAHRRH-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.59
Rot. Bonds6

About 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole

3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 65131187) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
PubChem CID65131187
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESCCSCc1noc(COC2CCNCC2)n1
InChIInChI=1S/C11H19N3O2S/c1-2-17-8-10-13-11(16-14-10)7-15-9-3-5-12-6-4-9/h9,12H,2-8H2,1H3
InChIKeyUCHLEMLTRAHRRH-UHFFFAOYSA-N
XLogP1.59
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (CID 65131187) is 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is CCSCc1noc(COC2CCNCC2)n1.
What is the InChIKey of 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is UCHLEMLTRAHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-17-8-10-13-11(16-14-10)7-15-9-3-5-12-6-4-9/h9,12H,2-8H2,1H3.
What are the key properties of 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 257.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65131187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).