644574 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 8 8 8 8 7 7 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 7 7 7 8 10 10 11 11 13 14 14 15 16 16 17 17 18 19 19 19 20 20 20 21 21 21 9 12 11 16 8 20 13 21 6 9 12 8 9 10 14 13 22 12 17 15 15 23 24 18 19 18 25 26 27 28 29 30 31 32 33 34 35 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 1 1 2 1 2 1 1 2 1 1 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 3.7891 3.8193 2.866 6.3301 5.4071 5.0981 4.5981 3.732 4.5981 5.4641 3.5103 4.0981 5.4641 3.732 4.5981 3.0103 2.5103 2.2013 3.0103 2 6.3301 6.001 3.1951 4.5981 2.1459 1.6116 3.6303 3.0103 2.3903 1.69 1.4631 2.31 5.7101 6.3301 6.9501 0.1444 2.8556 -1.4434 -3.4434 0.1444 1.0955 -1.4434 -1.9434 -0.4434 -1.9434 1.9045 1.0955 -2.9434 -2.9434 -3.4434 3.4434 1.9045 2.8556 4.4434 -1.9434 -4.4434 -1.6334 -3.2534 -4.0634 1.4029 3.0472 4.4434 5.0634 4.4434 -1.4064 -2.2534 -2.4803 -4.4434 -5.0634 -4.4434 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 6 7 7 8 10 11 13 14 16 17 9 12 11 16 6 9 12 8 10 14 13 17 15 15 18 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 344 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073380000000000000000000000000000016240000030000000000000000001F000001E00080000000C04819A02320680000440AA02A17210069208002E20001A8821E60CD80F27B684B51F8B3960E7E8110AA987FAFF3CEE01000100000800000200020000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethoxyphenyl)-5-(5-methyl-2-furyl)-1,3,4-oxadiazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethoxyphenyl)-5-(5-methyl-2-furanyl)-1,3,4-oxadiazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethoxyphenyl)-5-(5-methyl-2-furyl)-1,3,4-oxadiazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H14N2O4/c1-9-4-6-13(20-9)15-17-16-14(21-15)11-8-10(18-2)5-7-12(11)19-3/h4-8H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OKEQHMGHHFSGJW-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 2021.05.07 286.09535693 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H14N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(O1)C2=NN=C(O2)C3=C(C=CC(=C3)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(O1)C2=NN=C(O2)C3=C(C=CC(=C3)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.09535693 21 0 0 0 0 0 0 0 1 -1