68986369 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 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 6 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 5 5 5 6 6 7 7 7 7 8 8 9 9 10 10 10 12 12 13 13 14 14 16 16 17 18 18 19 20 21 22 22 23 23 24 25 25 25 26 26 26 11 21 17 25 19 26 15 8 15 31 11 12 8 9 27 28 29 30 13 14 11 16 18 15 21 22 32 23 33 17 34 19 20 35 20 36 37 24 38 24 39 40 41 42 43 44 45 46 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 2 2 1 1 1 1 2 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 5.8412 3.3001 5.0322 2.9499 4.3511 4.2232 4.1701 3.7634 3.5823 5.0322 5.0322 4.5322 2.5878 3.989 3.9444 4.1662 4.1662 5.8982 5.0322 5.8982 5.5322 2 3.4013 2.4067 2.4341 5.8982 4.6841 4.6008 3.2494 3.3327 4.9677 2.3356 4.6056 3.6292 6.4352 6.4352 5.8966 1.3834 3.6534 2.0423 2.7441 1.8972 2.1241 5.5882 6.4352 6.2082 -0.92 -4.5078 -5.5078 0.7356 1.7536 -0.92 3.4762 2.5626 4.2852 -2.5078 -1.5078 0.0311 4.1807 5.1988 0.8401 -3.0078 -4.0078 -3.0078 -4.5078 -4.0078 0.0311 4.9897 6.0078 5.9032 -4.0078 -6.0078 3.1295 3.9222 2.9094 2.1167 1.8184 3.6143 5.2636 -2.6978 -2.6978 -4.3178 0.5327 4.9249 6.5742 6.4048 -3.4708 -3.6978 -4.5447 -6.5447 -6.3178 -5.4708 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 9 9 10 10 12 13 14 16 17 18 19 22 23 11 21 11 12 13 14 16 18 21 22 23 17 19 20 20 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 442 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B380000000000000000000000000000016000000030600000000000000001D000001E00100000000C0CE19E06328692C81440A8032D72D4048288202F62200888A1BFACD80F66BE8CB53B9F396AE6F6119AA987FAFCBECE20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)oxazole-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-4-oxazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-<I>N</I>-(2-phenylethyl)-1,3-oxazole-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,4-dimethoxyphenyl)-N-phenethyl-oxazole-4-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H20N2O4/c1-24-17-9-8-15(12-18(17)25-2)20-22-16(13-26-20)19(23)21-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AZRTUFPMOJYNOI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 352.14230712 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H20N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 352.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=NC(=CO2)C(=O)NCCC3=CC=CC=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=NC(=CO2)C(=O)NCCC3=CC=CC=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 352.14230712 26 0 0 0 0 0 0 0 1 -1