2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

C18H19N5O3 — CID 125443326

IUPAC2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)n1
InChIInChI=1S/C18H19N5O3/c1-11-6-4-5-7-14(11)17-20-18(26-22-17)13(3)19-15(24)10-23-16(25)9-8-12(2)21-23/h4-9,13H,10H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyAQIXTYCGNJHMTG-ZDUSSCGKSA-N
MW353.38 g/mol
LogP1.79
Rot. Bonds5

About 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 125443326) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID125443326
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)n1
InChIInChI=1S/C18H19N5O3/c1-11-6-4-5-7-14(11)17-20-18(26-22-17)13(3)19-15(24)10-23-16(25)9-8-12(2)21-23/h4-9,13H,10H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyAQIXTYCGNJHMTG-ZDUSSCGKSA-N
XLogP1.79
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 131890638
2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 131905398
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91787339
2-(2,4-dioxoimidazolidin-1-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 77088867
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38638875
ethyl 3-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481020
3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid
CID 119912223
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
CID 121051905
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101380
6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine
CID 95201176

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 125443326) is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is Cc1ccc(=O)n(CC(=O)N[C@@H](C)c2nc(-c3ccccc3C)no2)n1.
What is the InChIKey of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is AQIXTYCGNJHMTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11-6-4-5-7-14(11)17-20-18(26-22-17)13(3)19-15(24)10-23-16(25)9-8-12(2)21-23/h4-9,13H,10H2,1-3H3,(H,19,24)/t13-/m0/s1.
What are the key properties of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 125443326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).