2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide

C22H19N5O5 — CID 71823910

IUPAC2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)c1ccccc1
InChIInChI=1S/C22H19N5O5/c1-26(15-5-3-2-4-6-15)20(29)12-27-19(28)10-8-16(24-27)22-23-21(25-32-22)14-7-9-17-18(11-14)31-13-30-17/h2-7,9,11H,8,10,12-13H2,1H3
InChIKeyMZCPTWPQFKEWTK-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.45
Rot. Bonds5

About 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide

2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 71823910) has the molecular formula C22H19N5O5 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID71823910
Molecular FormulaC22H19N5O5
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)c1ccccc1
InChIInChI=1S/C22H19N5O5/c1-26(15-5-3-2-4-6-15)20(29)12-27-19(28)10-8-16(24-27)22-23-21(25-32-22)14-7-9-17-18(11-14)31-13-30-17/h2-7,9,11H,8,10,12-13H2,1H3
InChIKeyMZCPTWPQFKEWTK-UHFFFAOYSA-N
XLogP2.45
TPSA110.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-propylacetamide
CID 71823845
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-butyl-N-ethylacetamide
CID 71823901
6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-4,5-dihydropyridazin-3-one
CID 71823876
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 53367193
6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,5-dihydropyridazin-3-one
CID 71823865
6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydropyridazin-3-one
CID 71823857
6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydropyridazin-3-one
CID 71823858
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53367203
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53367215
methyl 4-[[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]benzoate
CID 53367233
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 53367212
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 53367267

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide (CID 71823910) is 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)c1ccccc1.
What is the InChIKey of 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is MZCPTWPQFKEWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5/c1-26(15-5-3-2-4-6-15)20(29)12-27-19(28)10-8-16(24-27)22-23-21(25-32-22)14-7-9-17-18(11-14)31-13-30-17/h2-7,9,11H,8,10,12-13H2,1H3.
What are the key properties of 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide?
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 433.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 71823910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).