ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate

C19H23NO5 — CID 22118254

IUPACethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate
SMILESCCOC(=O)CC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H23NO5/c1-5-24-16(22)11-15(21)19(3,4)20-12-25-13(2)17(18(20)23)14-9-7-6-8-10-14/h6-10H,5,11-12H2,1-4H3
InChIKeyCTYYSWOBJRDFCV-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.53
Rot. Bonds6

About ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate

ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate (PubChem CID 22118254) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate.

Molecular Properties

Compound Nameethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate
PubChem CID22118254
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Nameethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate
SMILESCCOC(=O)CC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H23NO5/c1-5-24-16(22)11-15(21)19(3,4)20-12-25-13(2)17(18(20)23)14-9-7-6-8-10-14/h6-10H,5,11-12H2,1-4H3
InChIKeyCTYYSWOBJRDFCV-UHFFFAOYSA-N
XLogP2.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1-benzoyl-2-ethyl-3-oxopiperidine-4-carboxylate
CID 264853
5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxohexan-2-yl)-2H-1,3-oxazin-4-one
CID 18795480
5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one
CID 18795536
butyl 2-[6-(fluoromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
CID 19354573
diethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]propanedioate
CID 22118273
ethyl 2,2-difluoro-4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate
CID 22118347
ethyl 2-[3-[1-(3,5-difluorophenyl)-2-methyl-1-oxopropan-2-yl]-4-oxo-5-phenyl-2H-1,3-oxazin-6-yl]acetate
CID 22118348
tert butyl 2-(6-fluoromethyl-2,3-dihydro-4-oxo-5-phenyl-4H-1,3-oxazin-3-yl)-2-methylpropanoate
CID 53882279
methyl 2-[(2-fluorophenyl)methylidene]-4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate
CID 54288846
ethyl [5-(2-fluorophenyl)-2,3-dihydro-6-methyl-4-oxo-4H-1,3-oxazin-3-yl]-2-methylpropanoate
CID 86755276
5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxopentan-2-yl)-2H-1,3-oxazin-4-one
CID 146725334
Ethyl 1-(2-oxo-2-phenylacetyl)-4-piperidinecarboxylate
CID 129840318

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate?
The IUPAC name of ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate (CID 22118254) is ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate.
What is the SMILES notation for ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate?
The canonical SMILES for ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate is CCOC(=O)CC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate?
The InChIKey is CTYYSWOBJRDFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-5-24-16(22)11-15(21)19(3,4)20-12-25-13(2)17(18(20)23)14-9-7-6-8-10-14/h6-10H,5,11-12H2,1-4H3.
What are the key properties of ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate?
ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate has a molecular weight of 345.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-4-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)-3-oxopentanoate is sourced from PubChem (CID 22118254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).