3235799 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 16 8 8 8 7 7 7 7 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 2 2 3 3 4 4 5 5 6 6 6 7 7 8 9 9 10 11 13 13 13 14 14 15 15 17 18 20 20 21 21 22 22 23 24 24 24 25 25 25 10 12 16 19 11 24 18 25 9 12 12 19 28 8 16 19 10 11 14 15 16 18 20 17 26 17 27 29 21 22 30 23 31 23 32 33 34 35 36 37 38 39 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 2 1 1 1 2 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 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 4.6783 6.3551 2.866 5.2712 4.6783 6.2619 7.9643 7.7564 3.732 3.732 2.866 5.2619 6.9938 2.866 2 7.0983 2 6.0802 6.7619 7.8028 5.9757 7.6982 6.7847 2 4.3576 2.866 1.4631 6.5719 1.4631 8.3692 5.4093 8.1998 6.7199 2.31 1.4631 1.69 4.1055 3.7912 4.6098 0.6614 -0.3134 3.4661 -1.796 2.2709 1.4661 -0.4826 0.4956 1.9661 0.9661 2.4661 1.4661 -1.9771 0.4661 1.9661 -0.9826 0.9661 -2.3838 0.6001 -2.5649 -3.3784 -3.5594 -3.9661 3.9661 -2.2028 -0.1539 2.2761 2.0031 0.6561 -2.3127 -3.6305 -3.9238 -4.5827 4.5031 4.2761 3.4292 -1.6364 -2.455 -2.7692 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 7 7 8 9 9 10 11 13 13 14 15 18 20 21 22 10 12 16 19 9 12 8 16 19 10 11 14 15 18 20 17 17 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 446 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BB000400000000000000000000000000162C0000030600000000000005801FC00001E04180000000C0C81DE0233D7B2C81448AE032572740493F8AB6D68395F983D274CD98E27B6E4B59B8D31687FE91358E9A798C8208E00000004000811000000000800102200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4-methoxy-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-methoxy-1,3-benzothiazol-2-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H14N4O3S/c1-22-11-7-4-3-6-10(11)15-20-21-16(24-15)19-17-18-14-12(23-2)8-5-9-13(14)25-17/h3-9H,1-2H3,(H,18,19,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BKUZENLLVMYPPT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.07866149 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H14N4O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C2C(=CC=C1)SC(=N2)NC3=NN=C(O3)C4=CC=CC=C4OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C2C(=CC=C1)SC(=N2)NC3=NN=C(O3)C4=CC=CC=C4OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 111 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.07866149 25 0 0 0 0 0 0 0 1 -1