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1422140-64-4 | N-((4aS,8R,8aS)-octahydro-2H-pyrano[3,2-c]pyridin-8-yl)isoxazole-5-carboxamide
CAS No: 1422140-64-4 Catalog No: AG01DHOF MDL No:
Product Description
Catalog Number:
AG01DHOF
Chemical Name:
N-((4aS,8R,8aS)-octahydro-2H-pyrano[3,2-c]pyridin-8-yl)isoxazole-5-carboxamide
CAS Number:
1422140-64-4
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
IUPAC Name:
N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]-1,2-oxazole-5-carboxamide
InChI:
InChI=1S/C12H17N3O3/c16-12(10-3-4-14-18-10)15-9-7-13-6-8-2-1-5-17-11(8)9/h3-4,8-9,11,13H,1-2,5-7H2,(H,15,16)/t8-,9+,11-/m0/s1
InChI Key:
UHDIGBVKMQOEFI-NGZCFLSTSA-N
SMILES:
O=C(c1ccno1)N[C@@H]1CNC[C@H]2[C@@H]1OCCC2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/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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