(2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide

C18H18N4O4 — CID 94199898

IUPAC(2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
SMILESCCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccon3)n2)cc1
InChIInChI=1S/C18H18N4O4/c1-3-25-14-6-4-13(5-7-14)15-8-9-17(23)22(20-15)12(2)18(24)19-16-10-11-26-21-16/h4-12H,3H2,1-2H3,(H,19,21,24)/t12-/m1/s1
InChIKeyPXDGWERBGDOMHD-GFCCVEGCSA-N
MW354.37 g/mol
LogP2.50
Rot. Bonds6

About (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide

(2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide (PubChem CID 94199898) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
PubChem CID94199898
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name(2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
SMILESCCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccon3)n2)cc1
InChIInChI=1S/C18H18N4O4/c1-3-25-14-6-4-13(5-7-14)15-8-9-17(23)22(20-15)12(2)18(24)19-16-10-11-26-21-16/h4-12H,3H2,1-2H3,(H,19,21,24)/t12-/m1/s1
InChIKeyPXDGWERBGDOMHD-GFCCVEGCSA-N
XLogP2.50
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 121076102
ethyl (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7660182
N-(4-ethoxyphenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220528
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517663
N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517503
ethyl (2S)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanoate
CID 7660048
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101317
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]propanamide
CID 122278956
ethyl 2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]benzoate
CID 121101150
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide (CID 94199898) is (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide is CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccon3)n2)cc1.
What is the InChIKey of (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide?
The InChIKey is PXDGWERBGDOMHD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-3-25-14-6-4-13(5-7-14)15-8-9-17(23)22(20-15)12(2)18(24)19-16-10-11-26-21-16/h4-12H,3H2,1-2H3,(H,19,21,24)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide?
(2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide has a molecular weight of 354.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 94199898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).