5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol

C152H156F6N24O17 — CID 158724975

About 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol

5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol (PubChem CID 158724975) has the molecular formula C152H156F6N24O17 and a molecular weight of 2705.06 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol
• PubChem CID: 158724975
• Molecular Formula: C152H156F6N24O17
• Molecular Weight: 2705.06 g/mol
• Exact Mass: 2703.20
• IUPAC Name: 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol
• SMILES: COc1cc(/C=C/C2=NCC(C)(c3ccc(F)cc3)N2OC)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NC(CO)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NC(CO)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NC(CO)CC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC(CO)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C27H29FN4O3.C26H27FN4O3.3C25H25FN4O3.C24H25FN4O2/c1-18-15-31(17-29-18)24-9-4-19(13-25(24)34-3)12-20-10-11-35-32-26(20)30-23(16-33)14-27(32,2)21-5-7-22(28)8-6-21;1-17-14-30(16-29-17)23-8-3-18(12-24(23)33-2)11-20-9-10-34-31-25(19-4-6-22(27)7-5-19)21(15-32)13-28-26(20)31;1-17-13-29(16-28-17)22-8-3-18(12-23(22)32-2)11-19-9-10-33-30-24(19)27-14-25(30,15-31)20-4-6-21(26)7-5-20;2*1-16-13-29(15-27-16)22-8-3-17(12-23(22)32-2)11-19-9-10-33-30-24(21(14-31)28-25(19)30)18-4-6-20(26)7-5-18;1-17-14-28(16-27-17)21-11-5-18(13-22(21)30-3)6-12-23-26-15-24(2,29(23)31-4)19-7-9-20(25)10-8-19/h4-9,12-13,15,17,23,33H,10-11,14,16H2,1-3H3;3-8,11-12,14,16,21,25,32H,9-10,13,15H2,1-2H3;3-8,11-13,16,31H,9-10,14-15H2,1-2H3;2*3-8,11-13,15,21,24,31H,9-10,14H2,1-2H3;5-14,16H,15H2,1-4H3/b20-12+;20-11+;3*19-11+;12-6+
• InChIKey: IKJSLZMVJWADNP-VUZPKWMFSA-N
• XLogP: 24.45
• TPSA: 412.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2705.06
LogP ≤ 5	24.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol?

The IUPAC name of 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol (CID 158724975) is 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol.

What is the SMILES notation for 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol?

The canonical SMILES for 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol is COc1cc(/C=C/C2=NCC(C)(c3ccc(F)cc3)N2OC)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NC(CO)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NC(CO)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NC(CO)CC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC(CO)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.

What is the InChIKey of 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol?

The InChIKey is IKJSLZMVJWADNP-VUZPKWMFSA-N. The full InChI is InChI=1S/C27H29FN4O3.C26H27FN4O3.3C25H25FN4O3.C24H25FN4O2/c1-18-15-31(17-29-18)24-9-4-19(13-25(24)34-3)12-20-10-11-35-32-26(20)30-23(16-33)14-27(32,2)21-5-7-22(28)8-6-21;1-17-14-30(16-29-17)23-8-3-18(12-24(23)33-2)11-20-9-10-34-31-25(19-4-6-22(27)7-5-19)21(15-32)13-28-26(20)31;1-17-13-29(16-28-17)22-8-3-18(12-23(22)32-2)11-19-9-10-33-30-24(19)27-14-25(30,15-31)20-4-6-21(26)7-5-20;2*1-16-13-29(15-27-16)22-8-3-17(12-23(22)32-2)11-19-9-10-33-30-24(21(14-31)28-25(19)30)18-4-6-20(26)7-5-18;1-17-14-28(16-27-17)21-11-5-18(13-22(21)30-3)6-12-23-26-15-24(2,29(23)31-4)19-7-9-20(25)10-8-19/h4-9,12-13,15,17,23,33H,10-11,14,16H2,1-3H3;3-8,11-12,14,16,21,25,32H,9-10,13,15H2,1-2H3;3-8,11-13,16,31H,9-10,14-15H2,1-2H3;2*3-8,11-13,15,21,24,31H,9-10,14H2,1-2H3;5-14,16H,15H2,1-4H3/b20-12+;20-11+;3*19-11+;12-6+.

What are the key properties of 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol?

5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol has a molecular weight of 2705.06 g/mol, XLogP of 24.45, 31 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-1-methoxy-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-4H-imidazole;[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-2H-imidazo[1,2-b]oxazin-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-2-yl]methanol;bis([(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,6,7-tetrahydroimidazo[1,2-b]oxazin-2-yl]methanol);[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazin-3-yl]methanol is sourced from PubChem (CID 158724975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).