[5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol

C145H146F12N24O15S2 — CID 160926242

About [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol

[5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol (PubChem CID 160926242) has the molecular formula C145H146F12N24O15S2 and a molecular weight of 2757.03 g/mol. Its IUPAC name is [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol.

Molecular Properties

• Compound Name: [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol
• PubChem CID: 160926242
• Molecular Formula: C145H146F12N24O15S2
• Molecular Weight: 2757.03 g/mol
• Exact Mass: 2755.06
• IUPAC Name: [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol
• SMILES: Cc1cn(-c2ccc(C3=NOCC4C(Cc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Oc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(S(=O)(=O)c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Sc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1
• InChI: InChI=1S/C25H26F2N4O2.C24H24F2N4O4S.C24H24F2N4O3.C24H24F2N4O2S.2C24H24F2N4O2/c1-16-12-30(15-28-16)23-5-4-19(10-20(23)13-32)25-29-33-14-24-18(3-2-6-31(24)25)7-17-8-21(26)11-22(27)9-17;1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-34-13-22-23(3-2-6-30(22)24)35(32,33)20-9-18(25)8-19(26)10-20;2*1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-32-13-22-23(3-2-6-30(22)24)33-20-9-18(25)8-19(26)10-20;2*1-15-11-29(14-27-15)22-5-4-16(7-18(22)12-31)24-28-32-13-23-21(3-2-6-30(23)24)17-8-19(25)10-20(26)9-17/h4-5,8-12,15,18,24,32H,2-3,6-7,13-14H2,1H3;4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;2*4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;2*4-5,7-11,14,21,23,31H,2-3,6,12-13H2,1H3
• InChIKey: SSRFMBFHQYPHRX-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 420.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2757.03
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol?

The IUPAC name of [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol (CID 160926242) is [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol.

What is the SMILES notation for [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol?

The canonical SMILES for [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol is Cc1cn(-c2ccc(C3=NOCC4C(Cc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Oc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(S(=O)(=O)c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(Sc5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.Cc1cn(-c2ccc(C3=NOCC4C(c5cc(F)cc(F)c5)CCCN34)cc2CO)cn1.

What is the InChIKey of [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol?

The InChIKey is SSRFMBFHQYPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O2.C24H24F2N4O4S.C24H24F2N4O3.C24H24F2N4O2S.2C24H24F2N4O2/c1-16-12-30(15-28-16)23-5-4-19(10-20(23)13-32)25-29-33-14-24-18(3-2-6-31(24)25)7-17-8-21(26)11-22(27)9-17;1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-34-13-22-23(3-2-6-30(22)24)35(32,33)20-9-18(25)8-19(26)10-20;2*1-15-11-29(14-27-15)21-5-4-16(7-17(21)12-31)24-28-32-13-22-23(3-2-6-30(22)24)33-20-9-18(25)8-19(26)10-20;2*1-15-11-29(14-27-15)22-5-4-16(7-18(22)12-31)24-28-32-13-23-21(3-2-6-30(23)24)17-8-19(25)10-20(26)9-17/h4-5,8-12,15,18,24,32H,2-3,6-7,13-14H2,1H3;4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;2*4-5,7-11,14,22-23,31H,2-3,6,12-13H2,1H3;2*4-5,7-11,14,21,23,31H,2-3,6,12-13H2,1H3.

What are the key properties of [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol?

[5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol has a molecular weight of 2757.03 g/mol, XLogP of 22.52, 28 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[9-(3,5-difluorophenoxy)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;bis([5-[9-(3,5-difluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol);[5-[9-[(3,5-difluorophenyl)methyl]-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfanyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol;[5-[9-(3,5-difluorophenyl)sulfonyl-1,6,7,8,9,9a-hexahydropyrido[1,2-d][1,2,4]oxadiazin-4-yl]-2-(4-methylimidazol-1-yl)phenyl]methanol is sourced from PubChem (CID 160926242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).