67229778 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 8 8 7 7 6 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 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 10 11 12 12 13 13 14 16 16 16 17 17 18 18 18 19 19 20 21 21 22 22 23 23 24 24 25 10 16 15 17 9 15 34 15 20 6 7 9 8 12 10 26 27 11 28 29 13 11 30 14 31 14 32 33 18 35 36 19 20 37 38 39 21 22 40 23 41 24 42 25 43 25 44 45 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 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 9.2868 4.7861 5.7567 3.9771 6.6227 6.6227 7.5167 7.5167 5.7567 8.4227 8.4227 5.7567 4.8907 4.8907 4.8907 10.1548 3.808 11.0189 3.4013 3.308 2.4067 3.989 2 3.5823 2.5878 7.1121 7.9103 7.9103 7.1121 8.9585 5.7567 4.3537 4.3537 6.2936 10.5551 9.7581 10.7068 11.5546 11.3309 2.6914 2.0423 4.6056 1.3834 3.9467 2.3356 1.68 -0.7903 0.7042 0.6109 2.2042 3.2042 1.6695 3.7389 1.7042 2.1834 3.225 3.7042 2.2042 3.2042 0.2042 2.1767 -0.9982 1.6734 -1.9118 -0.1322 -2.0163 -2.7208 -2.9298 -3.6343 -3.7389 1.1998 1.1905 4.2179 4.2086 3.5371 4.3242 1.8942 3.5142 0.3942 2.6501 2.6532 1.1376 1.3613 2.2091 -0.0674 -1.5147 -2.656 -2.9947 -4.1359 -4.3053 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 9 12 13 17 19 19 21 22 23 24 15 17 15 20 6 9 12 13 14 14 20 21 22 23 24 25 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 461 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371E07B300000000000000000000000000000016000000030608000000000000081D000001E00100000000C0CE19A063FD492C81440A802B47774048288293F622009D801AB6CC98E2632C0BDB98F31086CD60358E9A7B8C8A08E80000040001200000000008000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-phenyl-oxazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-phenyl-2-oxazolamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-phenyl-1,3-oxazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-phenyl-1,3-oxazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(7-ethoxy-5,8-dihydronaphthalen-1-yl)-5-phenyl-1,3-oxazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (7-ethoxy-5,8-dihydronaphthalen-1-yl)-(5-phenyloxazol-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H20N2O2/c1-2-24-17-12-11-15-9-6-10-19(18(15)13-17)23-21-22-14-20(25-21)16-7-4-3-5-8-16/h3-10,12,14H,2,11,13H2,1H3,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ISQLVLRXOPSVAO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.152477885 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H20N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CCC2=C(C1)C(=CC=C2)NC3=NC=C(O3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CCC2=C(C1)C(=CC=C2)NC3=NC=C(O3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 47.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.152477885 25 0 0 0 0 0 0 0 1 -1