3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole

C18H19N5O — CID 53021997

IUPAC3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(N4CCCCC4)nn3)n2)cc1
InChIInChI=1S/C18H19N5O/c1-13-5-7-14(8-6-13)17-19-18(24-22-17)15-9-10-16(21-20-15)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3
InChIKeyOFRFYJBNCDSXAO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.49
Rot. Bonds3

About 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole

3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 53021997) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID53021997
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(N4CCCCC4)nn3)n2)cc1
InChIInChI=1S/C18H19N5O/c1-13-5-7-14(8-6-13)17-19-18(24-22-17)15-9-10-16(21-20-15)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3
InChIKeyOFRFYJBNCDSXAO-UHFFFAOYSA-N
XLogP3.49
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole (CID 53021997) is 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3ccc(N4CCCCC4)nn3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is OFRFYJBNCDSXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-5-7-14(8-6-13)17-19-18(24-22-17)15-9-10-16(21-20-15)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 321.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53021997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).