3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide

C23H21N5O3 — CID 50836657

IUPAC3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCCc4ccccc4)n3)n2)cc1
InChIInChI=1S/C23H21N5O3/c1-16-7-9-18(10-8-16)19-11-12-21(29)28(26-19)15-20-25-23(31-27-20)22(30)24-14-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,24,30)
InChIKeyVEURAGUYQAKBKT-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.62
Rot. Bonds7

About 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide

3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50836657) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID50836657
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCCc4ccccc4)n3)n2)cc1
InChIInChI=1S/C23H21N5O3/c1-16-7-9-18(10-8-16)19-11-12-21(29)28(26-19)15-20-25-23(31-27-20)22(30)24-14-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,24,30)
InChIKeyVEURAGUYQAKBKT-UHFFFAOYSA-N
XLogP2.62
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 46393492
N-[2-(diethylamino)ethyl]-3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46393453
N-[3-(azepan-1-yl)propyl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46393489
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082817
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 92884725
2-[[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
CID 50836492
N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50836384
3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 50836496
1-benzyl-3-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]urea
CID 42109840
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 50836657) is 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide is Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCCc4ccccc4)n3)n2)cc1.
What is the InChIKey of 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VEURAGUYQAKBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-16-7-9-18(10-8-16)19-11-12-21(29)28(26-19)15-20-25-23(31-27-20)22(30)24-14-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,24,30).
What are the key properties of 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50836657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).