5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

C14H19N3OS — CID 62502682

IUPAC5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2noc(CCC3CCNCC3)n2)c1
InChIInChI=1S/C14H19N3OS/c1-2-12(19-9-1)10-13-16-14(18-17-13)4-3-11-5-7-15-8-6-11/h1-2,9,11,15H,3-8,10H2
InChIKeyWQRVKKDSBLSLJZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.65
Rot. Bonds5

About 5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 62502682) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID62502682
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2noc(CCC3CCNCC3)n2)c1
InChIInChI=1S/C14H19N3OS/c1-2-12(19-9-1)10-13-16-14(18-17-13)4-3-11-5-7-15-8-6-11/h1-2,9,11,15H,3-8,10H2
InChIKeyWQRVKKDSBLSLJZ-UHFFFAOYSA-N
XLogP2.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 62502682) is 5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is c1csc(Cc2noc(CCC3CCNCC3)n2)c1.
What is the InChIKey of 5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is WQRVKKDSBLSLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-12(19-9-1)10-13-16-14(18-17-13)4-3-11-5-7-15-8-6-11/h1-2,9,11,15H,3-8,10H2.
What are the key properties of 5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 277.39 g/mol, XLogP of 2.65, 5 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-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62502682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).