659095 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 8 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 2 2 3 3 4 4 5 6 6 7 7 8 9 9 11 12 12 13 14 14 14 15 15 16 16 18 19 19 20 20 21 21 22 23 23 24 24 25 26 8 10 10 17 11 18 22 26 17 8 9 13 16 11 10 13 12 15 27 28 17 19 22 18 29 20 21 30 26 31 23 32 24 33 34 25 35 25 36 38 37 1 1 1 1 1 1 1 1 2 2 1 2 1 1 2 1 2 1 1 1 1 1 2 2 1 2 1 1 2 1 1 1 2 1 1 2 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 4.8968 6.1569 2.309 9.1601 6.6921 3.5878 3.5308 3.8968 4.3968 5.2058 3.309 3.618 4.3968 7.8511 2.809 3.5308 6.9 2 8.6601 4.3968 2.6648 8.1601 4.3968 2.6648 3.5308 9.4691 4.2077 4.9337 2.809 1.4103 8.6601 4.9337 2.1278 7.7957 4.9337 2.1278 10.0588 3.5308 1.8455 0.5854 2.6545 -0.0055 2.2327 0.8944 -1.1934 1.8455 0.3066 0.8944 2.6545 3.6056 -0.6934 0.9455 4.1934 -2.1934 1.2546 3.6056 1.5333 -2.6934 -2.6934 -0.0055 -3.6934 -3.6934 -4.1934 0.9455 3.7972 -1.0034 4.8134 3.7972 2.1533 -2.3834 -2.3834 -0.5071 -4.0034 -4.0034 1.1371 -4.8134 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 6 6 9 11 12 14 14 15 16 16 19 20 21 23 24 8 10 11 18 22 26 8 9 10 12 15 19 22 18 20 21 26 23 24 25 25 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 7 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B380000000000000000000000000000016244800030000000000000000001FC00001E00000000000C0CE19E0630CC92081440A803BDF3DC068288202F6220088821F76CD81F27B68CB5BFAF3B68E5E4119EE987DB370A0800000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(2-furyl)-4-(phenyliminomethyl)oxazol-5-yl] furan-3-carboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-furancarboxylic acid [2-(2-furanyl)-4-(phenyliminomethyl)-5-oxazolyl] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(furan-2-yl)-4-(phenyliminomethyl)-1,3-oxazol-5-yl] furan-3-carboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(furan-2-yl)-4-(phenyliminomethyl)-1,3-oxazol-5-yl] furan-3-carboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(furan-2-yl)-4-(phenyliminomethyl)-1,3-oxazol-5-yl] furan-3-carboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 furan-3-carboxylic acid [2-(2-furyl)-4-(phenyliminomethyl)oxazol-5-yl] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H12N2O5/c22-18(13-8-10-23-12-13)26-19-15(11-20-14-5-2-1-3-6-14)21-17(25-19)16-7-4-9-24-16/h1-12H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YEUSDDRDTZYOCG-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 2021.10.14 348.07462149 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H12N2O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N=CC2=C(OC(=N2)C3=CC=CO3)OC(=O)C4=COC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N=CC2=C(OC(=N2)C3=CC=CO3)OC(=O)C4=COC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.07462149 26 0 0 0 0 0 0 0 1 -1