OX6 Mrv0541 02241214012D 18 18 0 0 0 0 999 V2000 1.8355 2.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 -0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0919 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9169 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 -0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6149 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 0.8596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1456 0.8596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5580 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1456 -0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 1.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 2.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 2.4672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 1.6602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 1.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 10 9 1 1 0 0 0 10 14 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 6 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 14 17 2 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 M END > DB08336 > drugbank > [H][C@@](NC(=O)OC(C)(C)C)(C(C)C)C1=NN=CO1 > InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1 > InChIKey=PARUDDGQWSBIIO-MRVPVSSYSA-N > 3 > 25.25351424363608 > 1 > 1 > 241.142641489 > 0 > C11H19N3O3 > 1 > tert-butyl N-[(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate > 1.20 > 1.1019772786666655 > -2.69 > 241.2869 > 0 > 1 > 0 > 12.905789789217245 > -2.4344673569345487 > 77.25 > 63.146499999999996 > 5 > 1 > 4.90e-01 g/l > tert-butyl N-[(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate > 0 > DB08336 > experimental > TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE $$$$