(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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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

C126H127F5N20O11 — CID 158681675

About (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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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]-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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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 158681675) has the molecular formula C126H127F5N20O11 and a molecular weight of 2192.52 g/mol. Its IUPAC name is (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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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]-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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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: 158681675
• Molecular Formula: C126H127F5N20O11
• Molecular Weight: 2192.52 g/mol
• Exact Mass: 2190.99
• IUPAC Name: (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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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=NCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC3c2ccc(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.COc1cc(/C=C2\CCON3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C26H27FN4O3.C26H27FN4O2.2C25H25FN4O2.C24H23FN4O2/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;1-17-14-29(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;1-17-15-29(16-28-17)23-8-3-18(14-24(23)31-2)13-20-10-12-32-30-22(9-11-27-25(20)30)19-4-6-21(26)7-5-19;1-16-14-28(15-27-16)21-8-3-17(12-23(21)30-2)11-19-9-10-31-29-22(13-26-24(19)29)18-4-6-20(25)7-5-18/h3-8,13-15,17,32H,9-12,16H2,1-2H3;4-9,14-17H,10-13H2,1-3H3;4-9,12-14,16H,10-11,15H2,1-3H3;3-8,13-16,22H,9-12H2,1-2H3;3-8,11-12,14-15,22H,9-10,13H2,1-2H3/b20-13+;20-14+;19-12+;20-13+;19-11+
• InChIKey: IFFCEAPKINBWMT-JEXNLMKLSA-N
• XLogP: 23.18
• TPSA: 279.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.52
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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]-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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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 158681675) is (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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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]-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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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]-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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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=NCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCON3C2=NCC3c2ccc(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.COc1cc(/C=C2\CCON3C2=NCCC3c2ccc(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]-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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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 IFFCEAPKINBWMT-JEXNLMKLSA-N. The full InChI is InChI=1S/C26H27FN4O3.C26H27FN4O2.2C25H25FN4O2.C24H23FN4O2/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;1-17-14-29(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;1-17-15-29(16-28-17)23-8-3-18(14-24(23)31-2)13-20-10-12-32-30-22(9-11-27-25(20)30)19-4-6-21(26)7-5-19;1-16-14-28(15-27-16)21-8-3-17(12-23(21)30-2)11-19-9-10-31-29-22(13-26-24(19)29)18-4-6-20(25)7-5-18/h3-8,13-15,17,32H,9-12,16H2,1-2H3;4-9,14-17H,10-13H2,1-3H3;4-9,12-14,16H,10-11,15H2,1-3H3;3-8,13-16,22H,9-12H2,1-2H3;3-8,11-12,14-15,22H,9-10,13H2,1-2H3/b20-13+;20-14+;19-12+;20-13+;19-11+.

What are the key properties of (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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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]-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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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 2192.52 g/mol, XLogP of 23.18, 21 rotatable bonds, 1 hydrogen bond donors, and 31 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]-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]oxazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrimido[1,2-b]oxazine;[(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 158681675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).