69124174 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 8 8 8 8 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 2 2 3 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 13 13 13 14 15 16 17 17 18 18 19 19 20 21 22 23 23 23 24 24 24 25 25 25 12 15 16 21 23 20 25 7 8 11 14 16 9 26 27 10 28 29 10 30 31 32 33 12 34 35 13 14 36 37 15 38 17 18 19 20 39 22 40 21 22 41 24 42 43 44 45 46 47 48 49 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 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 40 41 42 43 44 45 46 47 48 49 4.9116 5.4071 4.5981 2.866 3.736 3.7891 4.7141 3.236 4.8187 3.9051 3.3292 3.917 3.5103 4.0981 5.0981 4.5981 4.5981 3.732 5.4641 3.732 4.5981 5.4641 5.4641 5.4641 2 4.7789 5.3341 2.8211 2.7344 5.4251 5.0102 4.2151 3.4035 2.8152 2.8986 2.9963 3.0796 5.4625 3.1951 6.001 6.001 6.0747 5.6762 4.8441 5.4641 6.0841 2.31 1.4631 1.69 2.8194 0.0412 -4.5466 -3.5466 4.4374 0.0412 4.6453 5.3034 5.6398 6.0466 3.5238 2.7148 1.8013 0.9923 0.9923 -0.5466 -1.5466 -2.0466 -2.0466 -3.0466 -3.5466 -3.0466 -5.0466 -6.0466 -3.0466 4.0287 4.6453 5.7642 4.939 5.5109 6.2295 6.5835 6.411 3.8706 3.0779 2.148 1.3553 1.4939 -1.7366 -1.7366 -3.3566 -5.1542 -4.464 -6.0466 -6.6666 -6.0466 -2.5096 -2.7366 -3.5835 8 8 8 8 8 8 8 8 8 8 8 2 2 6 6 14 17 17 18 19 20 21 15 16 14 16 15 18 19 20 22 21 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 428 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3800000000000000000000000000000162C0000030000000000000000001C000001E00000000000C0CE19E06328693081440A803AD72D4048288202F6220088821BFACD80F26BA84B53B8F392AE4C4119AA987FBFD3ECE20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(4-ethoxy-3-methoxy-phenyl)oxazol-4-yl]-3-pyrrolidin-1-yl-propan-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(4-ethoxy-3-methoxyphenyl)-4-oxazolyl]-3-(1-pyrrolidinyl)-2-propanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(4-ethoxy-3-methoxyphenyl)-1,3-oxazol-4-yl]-3-pyrrolidin-1-ylpropan-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(4-ethoxy-3-methoxyphenyl)-1,3-oxazol-4-yl]-3-pyrrolidin-1-ylpropan-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(4-ethoxy-3-methoxy-phenyl)-1,3-oxazol-4-yl]-3-pyrrolidin-1-yl-propan-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[2-(4-ethoxy-3-methoxy-phenyl)oxazol-4-yl]-3-pyrrolidino-acetone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H24N2O4/c1-3-24-17-7-6-14(10-18(17)23-2)19-20-15(13-25-19)11-16(22)12-21-8-4-5-9-21/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PRKMFNIRMLETFZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.17360725 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H24N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=C(C=C(C=C1)C2=NC(=CO2)CC(=O)CN3CCCC3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=C(C=C(C=C1)C2=NC(=CO2)CC(=O)CN3CCCC3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 64.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.17360725 25 0 0 0 0 0 0 0 1 -1