About (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane]
(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane] (PubChem CID 158340652) has the molecular formula C136H134F5N25O13
and a molecular weight of 2421.72 g/mol. Its IUPAC name is (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane].
Frequently Asked Questions
What is the IUPAC name of (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane]?
The IUPAC name of (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane] (CID 158340652) is (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane].
What is the SMILES notation for (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane]?
The canonical SMILES for (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane] is COc1cc(/C=C2\OCCN3C2=NC(C)(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NC(c2ccccc2)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NC2(CCOCC2)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NC3(CCOCC3)N4c3ccc(F)cc3)c3c2CC3)cn1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NC3(CCOCC3)N4c3ccc(F)cc3)c3c2OCO3)cn1.
What is the InChIKey of (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane]?
The InChIKey is GRCVFNSVGCBWME-HXCHGKQCSA-N. The full InChI is InChI=1S/C29H26FN5O2.C28H28FN5O2.C27H26FN5O4.C27H28FN5O3.C25H26FN5O2/c1-20-18-33(19-31-20)25-13-8-21(16-26(25)36-2)17-27-29-32-28(22-6-4-3-5-7-22)35(34(29)14-15-37-27)24-11-9-23(30)10-12-24;1-19-17-32(18-30-19)25-9-2-20(23-7-8-24(23)25)16-26-27-31-28(10-13-35-14-11-28)34(33(27)12-15-36-26)22-5-3-21(29)4-6-22;1-18-15-31(16-29-18)22-7-2-19(24-25(22)37-17-36-24)14-23-26-30-27(8-11-34-12-9-27)33(32(26)10-13-35-23)21-5-3-20(28)4-6-21;1-19-17-31(18-29-19)23-8-3-20(15-24(23)34-2)16-25-26-30-27(9-12-35-13-10-27)33(32(26)11-14-36-25)22-6-4-21(28)5-7-22;1-17-15-29(16-27-17)21-10-5-18(13-22(21)32-4)14-23-24-28-25(2,3)31(30(24)11-12-33-23)20-8-6-19(26)7-9-20/h3-13,16-19,28H,14-15H2,1-2H3;2-6,9,16-18H,7-8,10-15H2,1H3;2-7,14-16H,8-13,17H2,1H3;3-8,15-18H,9-14H2,1-2H3;5-10,13-16H,11-12H2,1-4H3/b27-17-;26-16-;23-14-;25-16-;23-14-.
What are the key properties of (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane]?
(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane] has a molecular weight of 2421.72 g/mol, XLogP of 22.94, 19 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane] is sourced from PubChem (CID 158340652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).