5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

C14H15N5OS — CID 120955600

IUPAC5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(C3(n4cccn4)CCNCC3)n2)c1
InChIInChI=1S/C14H15N5OS/c1-3-11(21-10-1)12-17-13(20-18-12)14(4-7-15-8-5-14)19-9-2-6-16-19/h1-3,6,9-10,15H,4-5,7-8H2
InChIKeyAOFUNURAPAGWIV-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.12
Rot. Bonds3

About 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 120955600) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID120955600
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1csc(-c2noc(C3(n4cccn4)CCNCC3)n2)c1
InChIInChI=1S/C14H15N5OS/c1-3-11(21-10-1)12-17-13(20-18-12)14(4-7-15-8-5-14)19-9-2-6-16-19/h1-3,6,9-10,15H,4-5,7-8H2
InChIKeyAOFUNURAPAGWIV-UHFFFAOYSA-N
XLogP2.12
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 120955600) is 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is c1csc(-c2noc(C3(n4cccn4)CCNCC3)n2)c1.
What is the InChIKey of 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is AOFUNURAPAGWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-11(21-10-1)12-17-13(20-18-12)14(4-7-15-8-5-14)19-9-2-6-16-19/h1-3,6,9-10,15H,4-5,7-8H2.
What are the key properties of 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 301.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 120955600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).