(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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane

C104H100F12N20O11S2 — CID 160665783

About (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane

(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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane (PubChem CID 160665783) has the molecular formula C104H100F12N20O11S2 and a molecular weight of 2098.18 g/mol. Its IUPAC name is (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane.

Molecular Properties

• Compound Name: (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane
• PubChem CID: 160665783
• Molecular Formula: C104H100F12N20O11S2
• Molecular Weight: 2098.18 g/mol
• Exact Mass: 2096.71
• IUPAC Name: (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane
• SMILES: COc1cc(/C=C2\OCCN3C2=NC(C)(C)N3c2ccc(OS(F)(F)(F)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NC(c2ccccc2)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NCN3c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\OCCN4C3=NC3(CCOCC3)N4c3ccc(F)cc3)c3c2OCO3)cn1
• InChI: InChI=1S/C29H26FN5O2.C27H26FN5O4.C25H26F5N5O3S.C23H22F5N5O2S/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;1-18-15-31(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;1-17-15-33(16-31-17)21-10-5-18(13-22(21)36-4)14-23-24-32-25(2,3)35(34(24)11-12-37-23)19-6-8-20(9-7-19)38-39(26,27,28,29)30;1-16-13-31(14-29-16)20-8-3-17(11-21(20)34-2)12-22-23-30-15-33(32(23)9-10-35-22)18-4-6-19(7-5-18)36(24,25,26,27)28/h3-13,16-19,28H,14-15H2,1-2H3;2-7,14-16H,8-13,17H2,1H3;5-10,13-16H,11-12H2,1-4H3;3-8,11-14H,9-10,15H2,1-2H3/b27-17-;2*23-14-;22-12-
• InChIKey: RMGWDRARXRCVIO-XFDHUWHASA-N
• XLogP: 22.93
• TPSA: 248.17 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2098.18
LogP ≤ 5	22.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane?

The IUPAC name of (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane (CID 160665783) is (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane.

What is the SMILES notation for (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane?

The canonical SMILES for (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane is COc1cc(/C=C2\OCCN3C2=NC(C)(C)N3c2ccc(OS(F)(F)(F)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NC(c2ccccc2)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCCN3C2=NCN3c2ccc(S(F)(F)(F)(F)F)cc2)ccc1-n1cnc(C)c1.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-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane?

The InChIKey is RMGWDRARXRCVIO-XFDHUWHASA-N. The full InChI is InChI=1S/C29H26FN5O2.C27H26FN5O4.C25H26F5N5O3S.C23H22F5N5O2S/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;1-18-15-31(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;1-17-15-33(16-31-17)21-10-5-18(13-22(21)36-4)14-23-24-32-25(2,3)35(34(24)11-12-37-23)19-6-8-20(9-7-19)38-39(26,27,28,29)30;1-16-13-31(14-29-16)20-8-3-17(11-21(20)34-2)12-22-23-30-15-33(32(23)9-10-35-22)18-4-6-19(7-5-18)36(24,25,26,27)28/h3-13,16-19,28H,14-15H2,1-2H3;2-7,14-16H,8-13,17H2,1H3;5-10,13-16H,11-12H2,1-4H3;3-8,11-14H,9-10,15H2,1-2H3/b27-17-;2*23-14-;22-12-.

What are the key properties of (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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane?

(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-[[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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane has a molecular weight of 2098.18 g/mol, XLogP of 22.93, 19 rotatable bonds, 0 hydrogen bond donors, and 31 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-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(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];pentafluoro-[4-[(8Z)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazin-3-yl]phenyl]-λ6-sulfane;pentafluoro-[4-[(8Z)-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]oxazin-3-yl]phenoxy]-λ6-sulfane is sourced from PubChem (CID 160665783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).