(E)-Methyl 3-(1-pivaloyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)acrylate|methyl (2E)-3-[1-(2,2-dimethylpropanoyl)-2H,3H-pyrido[2,3-b][1,4]oxazin-6-yl]prop-2-enoate|methyl (2E)-3-[1-(2,2-dimeth...

General Information

Structure

Molecular Formula

C₁₆H₂₀N₂O₄

Molecular Mass

304.341

Exact Mass

304.14230713

Charge

InChI

InChI=1S/C16H20N2O4/c1-16(2,3)15(20)18-9-10-22-14-12(18)7-5-11(17-14)6-8-13(19)21-4/h5-8H,9-10H2,1-4H3/b8-6+

InChIKey

JOKGVNAMZSXHMR-SOFGYWHQSA-N

Canonic Smiles

COC(=O)/C=C/c1ccc2c(n1)OCCN2C(=O)C(C)(C)C

Isomeric Smiles

c1(ccc2c(n1)OCCN2C(=O)C(C)(C)C)/C=C/C(=O)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.697827

LogD (pH = 7.4)

2.697876

Log P

2.6978765

Molar Refractivity

81.714

Polarizability

31.463007

Polar Surface Area

68.73

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(E)-Methyl 3-(1-pivaloyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)acrylate(E)-Methyl 3-(1-pivaloyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl)acrylate

IUPAC name

methyl (2E)-3-[1-(2,2-dimethylpropanoyl)-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-6-yl]prop-2-enoate methyl 3-[1-(2,2-dimethylpropanoyl)-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-6-yl]prop-2-enoate

IUPAC Traditional name

methyl (2E)-3-[1-(2,2-dimethylpropanoyl)-2H,3H-pyrido[2,3-b][1,4]oxazin-6-yl]prop-2-enoate methyl 3-[1-(2,2-dimethylpropanoyl)-2H,3H-pyrido[2,3-b][1,4]oxazin-6-yl]prop-2-enoate

Names and Identifiers

Registration numbers

PubChem CID

49761654

PubChem SID

162056460

MDL Number

MFCD16628271

Registration numbers

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Product Information

Empirical Formula (Hill Notation)

C16H20N2O4

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

ADE001282

Other Notes
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Product of Adesis

Molecule Details

References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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Calculated Properties