[(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol

C127H129F5N20O13 — CID 159910510

About [(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol

[(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol (PubChem CID 159910510) has the molecular formula C127H129F5N20O13 and a molecular weight of 2238.55 g/mol. Its IUPAC name is [(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol.

Molecular Properties

• Compound Name: [(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol
• PubChem CID: 159910510
• Molecular Formula: C127H129F5N20O13
• Molecular Weight: 2238.55 g/mol
• Exact Mass: 2237.00
• IUPAC Name: [(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol
• SMILES: COc1cc(/C=C2\CCON3C2=NC(CO)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C26H27FN4O3.C26H27FN4O2.2C25H25FN4O3.C25H25FN4O2/c1-18-15-30(17-29-18)23-8-3-19(14-24(23)33-2)13-20-9-12-34-31-25(20)28-11-10-26(31,16-32)21-4-6-22(27)7-5-21;1-18-16-30(17-29-18)23-9-4-19(15-24(23)32-3)14-20-10-13-33-31-25(20)28-12-11-26(31,2)21-5-7-22(27)8-6-21;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;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;1-17-14-29(16-28-17)22-9-4-18(13-23(22)31-3)12-19-10-11-32-30-24(19)27-15-25(30,2)20-5-7-21(26)8-6-20/h3-8,13-15,17,32H,9-12,16H2,1-2H3;4-9,14-17H,10-13H2,1-3H3;3-8,11-13,16,31H,9-10,14-15H2,1-2H3;3-8,11-13,15,21,24,31H,9-10,14H2,1-2H3;4-9,12-14,16H,10-11,15H2,1-3H3/b20-13+;20-14+;2*19-11+;19-12+
• InChIKey: NXCYCSQLPAIXJD-VJZAHWLWSA-N
• XLogP: 21.29
• TPSA: 320.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2238.55
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of [(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol (CID 159910510) is [(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol.

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

The canonical SMILES for [(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol is COc1cc(/C=C2\CCON3C2=NC(CO)C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.

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

The InChIKey is NXCYCSQLPAIXJD-VJZAHWLWSA-N. The full InChI is InChI=1S/C26H27FN4O3.C26H27FN4O2.2C25H25FN4O3.C25H25FN4O2/c1-18-15-30(17-29-18)23-8-3-19(14-24(23)33-2)13-20-9-12-34-31-25(20)28-11-10-26(31,16-32)21-4-6-22(27)7-5-21;1-18-16-30(17-29-18)23-9-4-19(15-24(23)32-3)14-20-10-13-33-31-25(20)28-12-11-26(31,2)21-5-7-22(27)8-6-21;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;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;1-17-14-29(16-28-17)22-9-4-18(13-23(22)31-3)12-19-10-11-32-30-24(19)27-15-25(30,2)20-5-7-21(26)8-6-20/h3-8,13-15,17,32H,9-12,16H2,1-2H3;4-9,14-17H,10-13H2,1-3H3;3-8,11-13,16,31H,9-10,14-15H2,1-2H3;3-8,11-13,15,21,24,31H,9-10,14H2,1-2H3;4-9,12-14,16H,10-11,15H2,1-3H3/b20-13+;20-14+;2*19-11+;19-12+.

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

[(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol has a molecular weight of 2238.55 g/mol, XLogP of 21.29, 23 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-b]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrimido[1,2-b]oxazine;[(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]-2,3,7,8-tetrahydropyrimido[1,2-b]oxazin-4-yl]methanol is sourced from PubChem (CID 159910510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).