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

C20H23N5O2 — CID 16733042

IUPAC3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1
InChIInChI=1S/C20H23N5O2/c1-2-6-19-21-20(24-27-19)17-9-10-18(23-22-17)25-13-11-16(12-14-25)26-15-7-4-3-5-8-15/h3-5,7-10,16H,2,6,11-14H2,1H3
InChIKeyGQMBGJZXKQUGCQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.53
Rot. Bonds6

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

3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole (PubChem CID 16733042) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole
PubChem CID16733042
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1
InChIInChI=1S/C20H23N5O2/c1-2-6-19-21-20(24-27-19)17-9-10-18(23-22-17)25-13-11-16(12-14-25)26-15-7-4-3-5-8-15/h3-5,7-10,16H,2,6,11-14H2,1H3
InChIKeyGQMBGJZXKQUGCQ-UHFFFAOYSA-N
XLogP3.53
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole (CID 16733042) is 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1.
What is the InChIKey of 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is GQMBGJZXKQUGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-6-19-21-20(24-27-19)17-9-10-18(23-22-17)25-13-11-16(12-14-25)26-15-7-4-3-5-8-15/h3-5,7-10,16H,2,6,11-14H2,1H3.
What are the key properties of 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole?
3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 365.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 16733042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).