2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H21N3O5 — CID 7293380

IUPAC2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOCCn1ccc2c(OCC(=O)Nc3cc(C)on3)cccc2c1=O
InChIInChI=1S/C19H21N3O5/c1-3-25-10-9-22-8-7-14-15(19(22)24)5-4-6-16(14)26-12-18(23)20-17-11-13(2)27-21-17/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,21,23)
InChIKeyFOZXMDIIMHBJLM-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.35
Rot. Bonds8

About 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7293380) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID7293380
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOCCn1ccc2c(OCC(=O)Nc3cc(C)on3)cccc2c1=O
InChIInChI=1S/C19H21N3O5/c1-3-25-10-9-22-8-7-14-15(19(22)24)5-4-6-16(14)26-12-18(23)20-17-11-13(2)27-21-17/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,21,23)
InChIKeyFOZXMDIIMHBJLM-UHFFFAOYSA-N
XLogP2.35
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293099
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one
CID 7293402
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 43985351
2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7762657
ethyl 2-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149387

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7293380) is 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOCCn1ccc2c(OCC(=O)Nc3cc(C)on3)cccc2c1=O.
What is the InChIKey of 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is FOZXMDIIMHBJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-25-10-9-22-8-7-14-15(19(22)24)5-4-6-16(14)26-12-18(23)20-17-11-13(2)27-21-17/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7293380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).