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

C19H21N5O2 — CID 16732297

IUPAC3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(N3CCC(Oc4ccccc4C)CC3)nn2)n1
InChIInChI=1S/C19H21N5O2/c1-13-5-3-4-6-17(13)25-15-9-11-24(12-10-15)18-8-7-16(21-22-18)19-20-14(2)23-26-19/h3-8,15H,9-12H2,1-2H3
InChIKeyVNYWNSOKSPFOPO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.19
Rot. Bonds4

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

3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole (PubChem CID 16732297) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
PubChem CID16732297
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(N3CCC(Oc4ccccc4C)CC3)nn2)n1
InChIInChI=1S/C19H21N5O2/c1-13-5-3-4-6-17(13)25-15-9-11-24(12-10-15)18-8-7-16(21-22-18)19-20-14(2)23-26-19/h3-8,15H,9-12H2,1-2H3
InChIKeyVNYWNSOKSPFOPO-UHFFFAOYSA-N
XLogP3.19
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole (CID 16732297) is 3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole is Cc1noc(-c2ccc(N3CCC(Oc4ccccc4C)CC3)nn2)n1.
What is the InChIKey of 3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole?
The InChIKey is VNYWNSOKSPFOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-5-3-4-6-17(13)25-15-9-11-24(12-10-15)18-8-7-16(21-22-18)19-20-14(2)23-26-19/h3-8,15H,9-12H2,1-2H3.
What are the key properties of 3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 16732297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).