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

C23H22N4O5 — CID 27375081

IUPAC2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCCOc1ccc(-c2noc(Cn3nc(-c4cccc(OC)c4)ccc3=O)n2)cc1OC
InChIInChI=1S/C23H22N4O5/c1-4-31-19-10-8-16(13-20(19)30-3)23-24-21(32-26-23)14-27-22(28)11-9-18(25-27)15-6-5-7-17(12-15)29-2/h5-13H,4,14H2,1-3H3
InChIKeyUWFMCJJPBBONFF-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.42
Rot. Bonds8

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

2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one (PubChem CID 27375081) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
PubChem CID27375081
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCCOc1ccc(-c2noc(Cn3nc(-c4cccc(OC)c4)ccc3=O)n2)cc1OC
InChIInChI=1S/C23H22N4O5/c1-4-31-19-10-8-16(13-20(19)30-3)23-24-21(32-26-23)14-27-22(28)11-9-18(25-27)15-6-5-7-17(12-15)29-2/h5-13H,4,14H2,1-3H3
InChIKeyUWFMCJJPBBONFF-UHFFFAOYSA-N
XLogP3.42
TPSA101.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,4-dimethylphenyl)-2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 27375132
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 27374334
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
CID 27375067
2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 27374332
2-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 27374356
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 27375113
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 27374981
2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 27375372
6-(3,4-dimethylphenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 27374986
2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 50843788
2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077352
6-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077316

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one (CID 27375081) is 2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one is CCOc1ccc(-c2noc(Cn3nc(-c4cccc(OC)c4)ccc3=O)n2)cc1OC.
What is the InChIKey of 2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one?
The InChIKey is UWFMCJJPBBONFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-4-31-19-10-8-16(13-20(19)30-3)23-24-21(32-26-23)14-27-22(28)11-9-18(25-27)15-6-5-7-17(12-15)29-2/h5-13H,4,14H2,1-3H3.
What are the key properties of 2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one?
2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one has a molecular weight of 434.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 27375081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).