52120470 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 17 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 6 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 14 14 14 15 15 15 16 16 16 18 18 18 19 19 19 20 21 21 22 22 23 23 24 24 25 25 26 13 17 20 11 12 14 13 15 16 7 17 20 9 10 13 27 11 28 29 12 30 31 32 33 34 35 17 36 37 18 38 39 19 40 41 42 43 44 45 46 47 21 22 23 24 48 25 49 26 50 26 51 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 2.181 4.8907 4.7861 5.7567 6.6227 3.9771 3.308 5.7567 4.8907 6.6227 4.8907 6.6227 5.7567 5.7567 6.6227 7.4888 4.8907 7.4888 8.3548 3.808 3.4013 3.989 2.4067 3.5823 2 2.5878 6.2936 4.6786 4.2801 7.2333 6.8348 4.2801 4.6786 6.8348 7.2333 5.9688 6.3673 6.4107 6.0121 7.0902 7.8873 7.7988 8.0257 7.1788 8.6648 8.8917 8.0448 4.6056 2.0423 3.9467 1.3834 -5.6783 4.1783 -1.8162 0.6783 4.1783 -0.415 -1.1581 2.6783 2.1783 2.1783 1.1783 1.1783 3.6783 -0.3217 5.1783 3.6783 -0.8217 5.6783 4.1783 -2.0241 -2.9377 -3.7467 -3.0422 -4.6602 -3.9558 -4.7648 2.9883 2.7609 2.0706 2.0706 2.7609 1.286 0.5957 0.5957 1.286 -0.9043 -0.214 5.7609 5.0706 3.2034 3.2034 5.1414 5.9883 6.2152 3.6414 4.4883 4.7152 -3.6819 -2.5406 -5.1618 -4.0206 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 7 21 21 22 23 24 25 17 20 7 17 20 22 23 24 25 26 26 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 447 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000400000000000000000000000001600000003C400000000000000001C000001E02080000000D02C19A24320083000440AA02217210009200002C05001A8821B80ED80A66B281B7399F310064CE0198A9879CC8208E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-diethyl-piperidine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-diethyl-4-piperidinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-<I>N</I>,<I>N</I>-diethylpiperidine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-diethylpiperidine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-diethyl-piperidine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-diethyl-isonipecotamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H25ClN4O2/c1-3-24(4-2)19(25)15-9-11-23(12-10-15)13-17-21-22-18(26-17)14-5-7-16(20)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HBKYPIFIKSVSLG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.1666037 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H25ClN4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(CC)C(=O)C1CCN(CC1)CC2=NN=C(O2)C3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(CC)C(=O)C1CCN(CC1)CC2=NN=C(O2)C3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 62.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.1666037 26 0 0 0 0 0 0 0 1 -1