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

C19H21N5O3 — CID 16733048

IUPAC5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccccc1OC1CCN(c2ccc(-c3nc(C)no3)nn2)CC1
InChIInChI=1S/C19H21N5O3/c1-13-20-19(27-23-13)15-7-8-18(22-21-15)24-11-9-14(10-12-24)26-17-6-4-3-5-16(17)25-2/h3-8,14H,9-12H2,1-2H3
InChIKeyWVGOIDXXEIYHJQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.89
Rot. Bonds5

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

5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 16733048) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID16733048
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccccc1OC1CCN(c2ccc(-c3nc(C)no3)nn2)CC1
InChIInChI=1S/C19H21N5O3/c1-13-20-19(27-23-13)15-7-8-18(22-21-15)24-11-9-14(10-12-24)26-17-6-4-3-5-16(17)25-2/h3-8,14H,9-12H2,1-2H3
InChIKeyWVGOIDXXEIYHJQ-UHFFFAOYSA-N
XLogP2.89
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 16733048) is 5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole is COc1ccccc1OC1CCN(c2ccc(-c3nc(C)no3)nn2)CC1.
What is the InChIKey of 5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is WVGOIDXXEIYHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-20-19(27-23-13)15-7-8-18(22-21-15)24-11-9-14(10-12-24)26-17-6-4-3-5-16(17)25-2/h3-8,14H,9-12H2,1-2H3.
What are the key properties of 5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 367.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 16733048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).