92196 -OEChem-10051719353D 25 26 0 1 0 0 0 0 0999 V2000 1.3213 -0.9326 0.6305 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 0.4511 -0.5963 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4579 -1.6409 0.2467 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5944 0.2932 0.5490 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3175 1.0542 -0.5554 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8652 0.0457 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 2.5443 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5275 -0.6659 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 0.9759 0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -1.1147 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1768 0.7467 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6101 -1.3439 -0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5683 -0.4131 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 0.7808 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 0.9042 -1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0064 3.0386 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4401 3.0125 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9406 2.7378 0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 1.8831 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 -1.8511 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 1.4714 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9152 -2.2457 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6192 -0.5912 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 -1.5591 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2407 -2.4777 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 8 2 0 0 0 0 3 8 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 M END > DB01447 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LJQBMYDFWFGESC-UHFFFAOYSA-N/SDF?record_type=3d > CC1N=C(N)OC1C1=CC=CC=C1 > InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12) > LJQBMYDFWFGESC-UHFFFAOYSA-N > C10H12N2O > 176.2151 > 176.094963016 > 3 > 25 > 0.635284811565369 > 18.916204545587455 > 1 > 1 > 0 > 1 > 4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine > 1.47 > 1.8787306556666665 > -2.58 > 0 > 1 > 2 > 1 > 7.241014633931162 > 47.61 > 50.16690000000001 > 1 > 1 > 4.68e-01 g/l > biotin > 0 $$$$