46497555 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 8 8 8 7 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 1 1 1 1 1 2 2 3 4 5 5 5 6 7 7 7 8 9 9 10 12 12 13 13 14 14 14 15 15 16 16 17 17 17 18 19 20 20 21 22 22 23 23 24 25 25 25 4 10 19 25 11 8 6 11 34 21 8 10 11 9 12 13 14 15 26 16 27 28 29 30 18 31 18 32 19 20 21 33 22 23 35 36 24 37 24 38 39 40 41 42 1 1 1 1 2 2 1 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 6 -1 5 21 17 36 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 5.8301 2.866 7.1962 6.8301 5.4641 5.4641 6.3301 7.1391 8.0902 5.5211 6.3301 8.2981 8.8334 4.57 9.2492 9.7844 4.5981 9.9923 3.732 5.4641 4.5981 3.732 5.4641 4.5981 2 7.8374 8.7044 4.3785 3.9804 4.7616 9.3781 10.2452 10.582 4.9272 6.001 4.0611 3.1951 6.001 4.5981 1.69 1.4631 2.31 3.7694 -1.7694 0.7306 3.7694 0.7306 -0.2694 2.2306 2.8184 2.5094 2.8184 1.2306 1.5312 3.1785 2.5094 1.2222 2.8695 -1.7694 1.8913 -2.2694 -2.2694 -0.7694 -3.2694 -3.2694 -3.7694 -2.2694 1.1163 3.7849 3.099 2.3178 1.9197 0.6157 3.2843 1.6997 1.0406 -1.9594 -0.4594 -3.5794 -3.5794 -4.3894 -1.7325 -2.5794 -2.8064 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 7 7 9 9 12 13 15 16 17 17 19 20 22 23 4 10 8 8 10 12 13 15 16 18 18 19 20 22 23 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 465 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 00000371E07B300000000000000000000000000000016000000030600000000000000001D000001E001C0000000C0CC19E06328690720400A903B57352009208002420003A9821264CDA0C26BE8CF19B8031E066E81908E94798C8E08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(2-methoxyphenyl)methyleneamino]-5-methyl-3-phenyl-isoxazole-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(<I>E</I>)-(2-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-methyl-N-[(E)-o-anisylideneamino]-3-phenyl-isoxazole-4-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H17N3O3/c1-13-17(18(22-25-13)14-8-4-3-5-9-14)19(23)21-20-12-15-10-6-7-11-16(15)24-2/h3-12H,1-2H3,(H,21,23)/b20-12+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LGHFZQATRIBIQP-UDWIEESQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.12699141 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H17N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC=CC=C3OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N/N=C/C3=CC=CC=C3OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 76.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.12699141 25 0 0 0 1 1 0 0 1 -1