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

C11H13N3OS — CID 2823630

IUPAC3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(N3CCCCC3)no2)c1
InChIInChI=1S/C11H13N3OS/c1-2-6-14(7-3-1)11-12-10(15-13-11)9-5-4-8-16-9/h4-5,8H,1-3,6-7H2
InChIKeyIAJOEQNWEYPADK-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.79
Rot. Bonds2

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

3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 2823630) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID2823630
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2nc(N3CCCCC3)no2)c1
InChIInChI=1S/C11H13N3OS/c1-2-6-14(7-3-1)11-12-10(15-13-11)9-5-4-8-16-9/h4-5,8H,1-3,6-7H2
InChIKeyIAJOEQNWEYPADK-UHFFFAOYSA-N
XLogP2.79
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole (CID 2823630) is 3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2nc(N3CCCCC3)no2)c1.
What is the InChIKey of 3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is IAJOEQNWEYPADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-6-14(7-3-1)11-12-10(15-13-11)9-5-4-8-16-9/h4-5,8H,1-3,6-7H2.
What are the key properties of 3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole?
3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 235.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2823630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).