N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide

C19H22N4O5 — CID 46950718

IUPACN-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOCCCNC(=O)Cn1nc(-c2ccco2)c(-c2cc(C)no2)cc1=O
InChIInChI=1S/C19H22N4O5/c1-3-26-8-5-7-20-17(24)12-23-18(25)11-14(16-10-13(2)22-28-16)19(21-23)15-6-4-9-27-15/h4,6,9-11H,3,5,7-8,12H2,1-2H3,(H,20,24)
InChIKeyDAXGKNKPSLOQDE-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.01
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide

N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 46950718) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID46950718
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC NameN-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOCCCNC(=O)Cn1nc(-c2ccco2)c(-c2cc(C)no2)cc1=O
InChIInChI=1S/C19H22N4O5/c1-3-26-8-5-7-20-17(24)12-23-18(25)11-14(16-10-13(2)22-28-16)19(21-23)15-6-4-9-27-15/h4,6,9-11H,3,5,7-8,12H2,1-2H3,(H,20,24)
InChIKeyDAXGKNKPSLOQDE-UHFFFAOYSA-N
XLogP2.01
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methyl-1,2-oxazol-5-yl)-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-propylacetamide
CID 95799655
2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 95799317
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 46960501
N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide
CID 46950870
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-ethoxypropyl)acetamide
CID 3224540
2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485678
2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 98116057
N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
CID 95799115
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482232
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-ethoxypropyl)acetamide
CID 19515867

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide (CID 46950718) is N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide is CCOCCCNC(=O)Cn1nc(-c2ccco2)c(-c2cc(C)no2)cc1=O.
What is the InChIKey of N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is DAXGKNKPSLOQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-3-26-8-5-7-20-17(24)12-23-18(25)11-14(16-10-13(2)22-28-16)19(21-23)15-6-4-9-27-15/h4,6,9-11H,3,5,7-8,12H2,1-2H3,(H,20,24).
What are the key properties of N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide?
N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 386.41 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 46950718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).