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

C20H24N6O2 — CID 139027734

IUPAC5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2ccc(N3CCN(Cc4nc(C)no4)CC3)nn2)cc1
InChIInChI=1S/C20H24N6O2/c1-3-27-17-6-4-16(5-7-17)18-8-9-19(23-22-18)26-12-10-25(11-13-26)14-20-21-15(2)24-28-20/h4-9H,3,10-14H2,1-2H3
InChIKeyJAJBDTBNKVEHBX-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.56
Rot. Bonds6

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

5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 139027734) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID139027734
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2ccc(N3CCN(Cc4nc(C)no4)CC3)nn2)cc1
InChIInChI=1S/C20H24N6O2/c1-3-27-17-6-4-16(5-7-17)18-8-9-19(23-22-18)26-12-10-25(11-13-26)14-20-21-15(2)24-28-20/h4-9H,3,10-14H2,1-2H3
InChIKeyJAJBDTBNKVEHBX-UHFFFAOYSA-N
XLogP2.56
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 139027698
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
CID 52903948
3-(4-ethoxyphenyl)-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55571690
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
2-methyl-5-[[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 139027435
1-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 55572686
3-(4-ethoxyphenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015623
(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
3-(4-ethoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 46573079
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 121059808
1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059845

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 139027734) is 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is CCOc1ccc(-c2ccc(N3CCN(Cc4nc(C)no4)CC3)nn2)cc1.
What is the InChIKey of 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is JAJBDTBNKVEHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-3-27-17-6-4-16(5-7-17)18-8-9-19(23-22-18)26-12-10-25(11-13-26)14-20-21-15(2)24-28-20/h4-9H,3,10-14H2,1-2H3.
What are the key properties of 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 380.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 139027734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).