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

C24H23N5O2 — CID 16732295

IUPAC3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nn3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-3-7-18(8-4-1)17-22-25-24(31-28-22)21-11-12-23(27-26-21)29-15-13-20(14-16-29)30-19-9-5-2-6-10-19/h1-12,20H,13-17H2
InChIKeyZGLPQRSDHLPYMT-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.17
Rot. Bonds6

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

3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole (PubChem CID 16732295) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
PubChem CID16732295
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nn3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-3-7-18(8-4-1)17-22-25-24(31-28-22)21-11-12-23(27-26-21)29-15-13-20(14-16-29)30-19-9-5-2-6-10-19/h1-12,20H,13-17H2
InChIKeyZGLPQRSDHLPYMT-UHFFFAOYSA-N
XLogP4.17
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(6-spiro[2H-1-benzofuran-3,3'-pyrrolidine]-1'-ylpyridazin-3-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 68556493
1-[6-[3-(Hydroxymethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-4-[4-(trifluoromethoxy)phenyl]piperidine-4-carbonitrile
CID 124192413
[5-[6-(4-Methoxy-4-phenylpiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazol-3-yl]methanol
CID 124192480
5-Methyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732153
3-[6-(4-Phenoxypiperidin-1-yl)pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 16732154
5-Benzyl-3-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732155
3-Benzyl-5-[6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732296
3-Methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732297
3-Benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
CID 16733046
5-[6-[4-(2-Chlorophenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 16733047
5-[6-[4-(2-Methoxyphenoxy)piperidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 16733048
5-Methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole
CID 54752774

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole (CID 16732295) is 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole is c1ccc(Cc2noc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nn3)n2)cc1.
What is the InChIKey of 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZGLPQRSDHLPYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-3-7-18(8-4-1)17-22-25-24(31-28-22)21-11-12-23(27-26-21)29-15-13-20(14-16-29)30-19-9-5-2-6-10-19/h1-12,20H,13-17H2.
What are the key properties of 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole?
3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole has a molecular weight of 413.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 16732295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).