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

C18H19N5O2 — CID 16732153

IUPAC5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1
InChIInChI=1S/C18H19N5O2/c1-13-19-18(22-25-13)16-7-8-17(21-20-16)23-11-9-15(10-12-23)24-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyRMTJURMWKZFOJR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.88
Rot. Bonds4

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

5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole (PubChem CID 16732153) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
PubChem CID16732153
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1
InChIInChI=1S/C18H19N5O2/c1-13-19-18(22-25-13)16-7-8-17(21-20-16)23-11-9-15(10-12-23)24-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyRMTJURMWKZFOJR-UHFFFAOYSA-N
XLogP2.88
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole (CID 16732153) is 5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1.
What is the InChIKey of 5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RMTJURMWKZFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-19-18(22-25-13)16-7-8-17(21-20-16)23-11-9-15(10-12-23)24-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3.
What are the key properties of 5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 16732153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).