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

C22H19N5O5 — CID 53367193

IUPAC2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1
InChIInChI=1S/C22H19N5O5/c1-13-2-5-15(6-3-13)23-19(28)11-27-20(29)9-7-16(25-27)22-24-21(26-32-22)14-4-8-17-18(10-14)31-12-30-17/h2-6,8,10H,7,9,11-12H2,1H3,(H,23,28)
InChIKeyCGGFILSGRCTOKL-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.74
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-(4-methylphenyl)acetamide

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 (PubChem CID 53367193) 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-(4-methylphenyl)acetamide.

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-(4-methylphenyl)acetamide
PubChem CID53367193
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-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1
InChIInChI=1S/C22H19N5O5/c1-13-2-5-15(6-3-13)23-19(28)11-27-20(29)9-7-16(25-27)22-24-21(26-32-22)14-4-8-17-18(10-14)31-12-30-17/h2-6,8,10H,7,9,11-12H2,1H3,(H,23,28)
InChIKeyCGGFILSGRCTOKL-UHFFFAOYSA-N
XLogP2.74
TPSA119.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-(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-bromo-3-methylphenyl)acetamide
CID 53367267
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
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
butyl 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 53367235
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53367259
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 53367261
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-methyl-N-phenylacetamide
CID 71823910
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

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-(4-methylphenyl)acetamide?
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-(4-methylphenyl)acetamide (CID 53367193) is 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.
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-(4-methylphenyl)acetamide?
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-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1.
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-(4-methylphenyl)acetamide?
The InChIKey is CGGFILSGRCTOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5/c1-13-2-5-15(6-3-13)23-19(28)11-27-20(29)9-7-16(25-27)22-24-21(26-32-22)14-4-8-17-18(10-14)31-12-30-17/h2-6,8,10H,7,9,11-12H2,1H3,(H,23,28).
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-(4-methylphenyl)acetamide?
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 has a molecular weight of 433.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 53367193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).