6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one


Chemical Name: 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CAS Number: 300816-15-3
Product Number: AG0035KM(AGN-PC-0MW90O)
Synonyms:
MDL No:
Molecular Formula: C25H27N3O3
Molecular Weight: 417.5002

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Solubility:
DMSO: soluble1mg/mL, clear (warmed)
Computed Properties
Molecular Weight:
417.509g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
417.205g/mol
Monoisotopic Mass:
417.205g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
630
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


PNMR/RS504393-300816-15-3-hnmr.pdf

Other Analytical Data


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Chemical Structure



6-Methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one, also known as $name$, is a versatile compound widely used in chemical synthesis. Its unique structure and reactivity make it a valuable building block in the creation of complex organic molecules. In synthetic chemistry, $name$ serves as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other fine chemicals. Its spirocyclic framework, combined with the presence of functional groups, allows for the efficient construction of diverse molecular architectures. Additionally, the presence of the oxazole and benzoxazine moieties in $name$ confers specific reactivity patterns that are essential for manipulating its chemical properties in various transformations. With its applications in different synthetic pathways, $name$ plays a crucial role in the development of novel compounds with potential applications across multiple industries.