2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one

C22H20N4O4 — CID 27375372

IUPAC2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one
SMILESCCOc1ccc(-c2noc(Cn3nc(-c4ccccc4OC)ccc3=O)n2)cc1
InChIInChI=1S/C22H20N4O4/c1-3-29-16-10-8-15(9-11-16)22-23-20(30-25-22)14-26-21(27)13-12-18(24-26)17-6-4-5-7-19(17)28-2/h4-13H,3,14H2,1-2H3
InChIKeyJMGPDFZNQXELMP-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.42
Rot. Bonds7

About 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one

2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one (PubChem CID 27375372) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one
PubChem CID27375372
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one
SMILESCCOc1ccc(-c2noc(Cn3nc(-c4ccccc4OC)ccc3=O)n2)cc1
InChIInChI=1S/C22H20N4O4/c1-3-29-16-10-8-15(9-11-16)22-23-20(30-25-22)14-26-21(27)13-12-18(24-26)17-6-4-5-7-19(17)28-2/h4-13H,3,14H2,1-2H3
InChIKeyJMGPDFZNQXELMP-UHFFFAOYSA-N
XLogP3.42
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one with MolForge

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Related Compounds

2-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 27374356
2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077352
2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 27375081
2-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 27375095
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
CID 27375067
6-(3,4-dimethylphenyl)-2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 27375132
6-(2-chlorophenyl)-2-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077357
6-(4-butoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077337
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 27375113
2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 27374332
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077346
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 7662773

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one (CID 27375372) is 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one is CCOc1ccc(-c2noc(Cn3nc(-c4ccccc4OC)ccc3=O)n2)cc1.
What is the InChIKey of 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one?
The InChIKey is JMGPDFZNQXELMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-3-29-16-10-8-15(9-11-16)22-23-20(30-25-22)14-26-21(27)13-12-18(24-26)17-6-4-5-7-19(17)28-2/h4-13H,3,14H2,1-2H3.
What are the key properties of 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one?
2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one has a molecular weight of 404.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 27375372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).