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

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

CAS: 300816-15-3

Formula: C25H27N3O3

SMILES: CC1=C(CCN2CCC3(CC2)OC(=O)NC2=CC=C(C)C=C32)N=C(O1)C1=CC=CC=C1

IUPAC: 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-dihydrospiro[3,1-benzoxazine-4,4'-piperidin]-2-one

InChI: InChI=1S/C25H27N3O3/c1-17-8-9-22-20(16-17)25(31-24(29)27-22)11-14-28(15-12-25)13-10-21-18(2)30-23(26-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,27,29)

Composition: C (71.92%), H (6.52%), N (10.06%), O (11.50%)

Molar Mass: 417.509

Atom Count: 58

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 417.205241741
Formal Charge 0
FSP3 0.36
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ODNICNWASXKNNQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 131.23
Topological Polar Surface Area 67.6
Polarizability 46.31
Ring Count 5
Rotatable Bond Count 4

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