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1422060-82-9 | 5-methyl-N-((4aS,8R,8aS)-octahydro-2H-pyrano[3,2-c]pyridin-8-yl)isoxazole-4-carboxamide
CAS No: 1422060-82-9 Catalog No: AG01DI6Y MDL No:
Product Description
Catalog Number:
AG01DI6Y
Chemical Name:
5-methyl-N-((4aS,8R,8aS)-octahydro-2H-pyrano[3,2-c]pyridin-8-yl)isoxazole-4-carboxamide
CAS Number:
1422060-82-9
Molecular Formula:
C13H19N3O3
Molecular Weight:
265.3083
IUPAC Name:
N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]-5-methyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C13H19N3O3/c1-8-10(6-15-19-8)13(17)16-11-7-14-5-9-3-2-4-18-12(9)11/h6,9,11-12,14H,2-5,7H2,1H3,(H,16,17)/t9-,11+,12-/m0/s1
InChI Key:
OLOHWGMURFUIJV-WCQGTBRESA-N
SMILES:
O=C(c1cnoc1C)N[C@@H]1CNC[C@H]2[C@@H]1OCCC2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
265.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.313g/mol
Monoisotopic Mass:
265.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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