11383075 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 9 9 8 8 7 7 7 6 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 2 3 3 4 5 5 5 6 6 7 8 8 8 8 9 9 9 10 10 11 11 11 12 12 14 15 15 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 25 25 26 26 24 27 7 13 14 10 12 14 13 16 16 9 10 13 28 11 29 30 31 32 12 33 34 35 36 15 17 18 19 20 37 21 38 22 23 24 39 24 40 25 41 26 42 27 43 27 44 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 8 9 10 13 28 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 12.7569 2 7.4562 8.4268 9.2928 6.6472 6.4781 8.4268 9.2928 8.4268 10.1588 10.1588 7.5608 9.2928 10.1588 5.9781 10.1588 11.0249 4.9836 11.0249 11.8909 4.5768 4.3958 11.8909 3.5823 3.4013 2.9945 7.6907 9.6913 8.8943 7.8162 8.2147 10.7694 10.3709 10.3709 10.7694 9.6219 11.0249 11.0249 12.4278 4.9413 4.648 3.3301 3.0368 -3.1012 1.8171 2.8933 -1.6012 -0.1012 1.4921 3.1012 1.3988 1.8988 0.3988 1.3988 0.3988 1.8988 -1.1012 -1.6012 2.2352 -2.6012 -1.1012 2.1307 -3.1012 -1.6012 1.2171 2.9397 -2.6012 1.1126 2.8352 1.9216 0.9738 2.3737 2.3737 0.5064 -0.1838 1.2911 1.9814 -0.1838 0.5064 -2.9112 -0.4812 -3.7212 -1.2912 0.7155 3.5061 0.5462 3.3367 8 8 8 8 8 6 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 7 8 15 15 17 18 19 19 20 21 22 23 25 26 7 13 13 16 16 28 17 18 20 21 22 23 24 24 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 508 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B31800000000000000000000000000001600000003C608000000000000001D000001F00040000000D00C19B0C311087181000A902237236008280092400A02988213804D88828BA80DD118421086687028889879899028E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-[(3<I>S</I>)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidino]methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VXQCCZHCFBHTTD-HNNXBMFYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 369.12888312 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H17F2N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 369.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC=C(C=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 369.12888312 27 1 1 0 0 0 0 0 1 -1