5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole

C11H13N3OS — CID 2761144

IUPAC5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C11H13N3OS/c1-2-9(16-7-1)10-13-11(15-14-10)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2
InChIKeyXALUYQULRYNAPI-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.27
Rot. Bonds2

About 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole

5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 2761144) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID2761144
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C11H13N3OS/c1-2-9(16-7-1)10-13-11(15-14-10)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2
InChIKeyXALUYQULRYNAPI-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole (CID 2761144) is 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2noc(C3CCNCC3)n2)c1.
What is the InChIKey of 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is XALUYQULRYNAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-9(16-7-1)10-13-11(15-14-10)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2.
What are the key properties of 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole?
5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 235.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2761144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).