5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole

C24H23N5O2 — CID 16732155

IUPAC5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nn3)no2)cc1
InChIInChI=1S/C24H23N5O2/c1-3-7-18(8-4-1)17-23-25-24(28-31-23)21-11-12-22(27-26-21)29-15-13-20(14-16-29)30-19-9-5-2-6-10-19/h1-12,20H,13-17H2
InChIKeyRAUPJMQHSZQHSE-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.17
Rot. Bonds6

About 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole

5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole (PubChem CID 16732155) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
PubChem CID16732155
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nn3)no2)cc1
InChIInChI=1S/C24H23N5O2/c1-3-7-18(8-4-1)17-23-25-24(28-31-23)21-11-12-22(27-26-21)29-15-13-20(14-16-29)30-19-9-5-2-6-10-19/h1-12,20H,13-17H2
InChIKeyRAUPJMQHSZQHSE-UHFFFAOYSA-N
XLogP4.17
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole (CID 16732155) is 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole is c1ccc(Cc2nc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nn3)no2)cc1.
What is the InChIKey of 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RAUPJMQHSZQHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-3-7-18(8-4-1)17-23-25-24(28-31-23)21-11-12-22(27-26-21)29-15-13-20(14-16-29)30-19-9-5-2-6-10-19/h1-12,20H,13-17H2.
What are the key properties of 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole has a molecular weight of 413.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 16732155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).