5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole

C17H21N3O — CID 65408038

IUPAC5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCC(c1noc(C3CCNCC3)n1)C2
InChIInChI=1S/C17H21N3O/c1-2-4-14-11-15(6-5-12(14)3-1)16-19-17(21-20-16)13-7-9-18-10-8-13/h1-4,13,15,18H,5-11H2
InChIKeyQWGYQGGOJHHXEH-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.81
Rot. Bonds2

About 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole

5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole (PubChem CID 65408038) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
PubChem CID65408038
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCC(c1noc(C3CCNCC3)n1)C2
InChIInChI=1S/C17H21N3O/c1-2-4-14-11-15(6-5-12(14)3-1)16-19-17(21-20-16)13-7-9-18-10-8-13/h1-4,13,15,18H,5-11H2
InChIKeyQWGYQGGOJHHXEH-UHFFFAOYSA-N
XLogP2.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole (CID 65408038) is 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole is c1ccc2c(c1)CCC(c1noc(C3CCNCC3)n1)C2.
What is the InChIKey of 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole?
The InChIKey is QWGYQGGOJHHXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-4-14-11-15(6-5-12(14)3-1)16-19-17(21-20-16)13-7-9-18-10-8-13/h1-4,13,15,18H,5-11H2.
What are the key properties of 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole?
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole has a molecular weight of 283.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65408038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).