15998742 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 8 8 8 8 8 7 7 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 2 2 3 3 4 4 5 6 6 6 7 8 8 9 10 10 11 11 12 12 13 13 14 16 17 18 19 19 20 20 21 22 22 22 23 23 23 7 13 9 22 18 21 14 23 15 8 15 24 11 9 10 12 16 25 15 17 14 26 17 18 16 28 27 19 20 29 21 30 31 32 33 34 35 36 37 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 2 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 5.9641 2.866 3.3763 4.5981 6.3301 4.5981 6.2731 4.5981 3.732 5.4641 5.4641 3.732 4.9641 4.5981 5.4641 5.4641 4.6551 4.3763 4.6853 3.8763 3.0673 2 5.4641 4.0611 6.001 3.1951 4.0654 6.001 5.275 3.8763 2.4776 1.69 1.4631 2.31 5.1541 6.001 5.7741 2.5955 -1.4434 3.4045 -4.4434 -0.4434 -0.4434 1.6444 -1.4434 -1.9434 -1.9434 1.0566 -2.9434 2.5955 -3.4434 0.0566 -2.9434 1.6444 3.4045 4.3556 4.9434 4.3556 -1.9434 -4.9434 -0.1334 -1.6334 -3.2534 1.4528 -3.2534 4.5472 5.5634 4.5472 -1.4064 -2.2534 -2.4803 -5.4803 -5.2534 -4.4064 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 7 8 8 9 10 11 12 13 14 18 19 20 7 13 18 21 11 9 10 12 16 17 14 17 16 19 20 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 408 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 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 00000371C07B380000000000000000000000000000016240000030000000000000000001F000001E0014000000080CA1960232C692D00440A901AD72D202820800272200289821F76CDA0F673AC4B59F9739A8E7D41DDAE9C7BFFFAEE000400008000010000080001000002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-5-(2-furyl)isoxazole-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(2,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-5-(2-furyl)isoxazole-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H14N2O5/c1-20-10-5-6-11(14(8-10)21-2)17-16(19)12-9-15(23-18-12)13-4-3-7-22-13/h3-9H,1-2H3,(H,17,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UOHRFMZDXFXHBS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.09027155 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H14N2O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.09027155 23 0 0 0 0 0 0 0 1 -1