1-[6-(dimethoxymethyl)-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-1-yl]-2,2-dimethylpropan-1-one

• ChemBase ID: 54534
• Molecular Formular: C15H22N2O4
• Molecular Mass: 294.34618
• Monoisotopic Mass: 294.15795719
• SMILES: c1(ccc2c(n1)OCCN2C(=O)C(C)(C)C)C(OC)OC
• Canonical SMILES: COC(c1ccc2c(n1)OCCN2C(=O)C(C)(C)C)OC
• InChI: InChI=1S/C15H22N2O4/c1-15(2,3)14(18)17-8-9-21-12-11(17)7-6-10(16-12)13(19-4)20-5/h6-7,13H,8-9H2,1-5H3
• InChIKey: JQCZZVJXSXSWHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(dimethoxymethyl)-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-1-yl]-2,2-dimethylpropan-1-one
• IUPAC Traditional name: 1-[6-(dimethoxymethyl)-2H,3H-pyrido[2,3-b][1,4]oxazin-1-yl]-2,2-dimethylpropan-1-one
• Synonyms: 1-(6-(Dimethoxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one; 1-(6-(Dimethoxymethyl)-2,3-dihydro-1H-pyrido-[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one; 1-(6-(Dimethoxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one

Database IDs

• CAS Number: 1261365-93-8
• MDL Number: MFCD18374155
• PubChem SID: 162059297
• PubChem CID: 50989171

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2337816
• LogD (pH = 7.4): 2.233783
• Log P: 2.233783
• Molar Refractivity: 77.3846 cm^3
• Polarizability: 30.408455 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C15H22N2O4

DETAILS

Sigma Aldrich - ADE001289

Other Notes
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Legal Information
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