3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole

C41H41BrF6N10O6 — CID 157232182

About 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole

3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (PubChem CID 157232182) has the molecular formula C41H41BrF6N10O6 and a molecular weight of 963.73 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole.

Molecular Properties

• Compound Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole
• PubChem CID: 157232182
• Molecular Formula: C41H41BrF6N10O6
• Molecular Weight: 963.73 g/mol
• Exact Mass: 962.23
• IUPAC Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole
• SMILES: C.COc1nc(C2=NC(c3ccc(OC(F)(F)F)cc3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3ccc(OC(F)(F)F)cc3)CON2)ccc1Br.Cc1cnc[nH]1
• InChI: InChI=1S/C20H18F3N5O3.C16H13BrF3N3O3.C4H6N2.CH4/c1-12-9-28(11-24-12)17-8-7-15(26-19(17)29-2)18-25-16(10-30-27-18)13-3-5-14(6-4-13)31-20(21,22)23;1-24-15-11(17)6-7-12(22-15)14-21-13(8-25-23-14)9-2-4-10(5-3-9)26-16(18,19)20;1-4-2-5-3-6-4;/h3-9,11,16H,10H2,1-2H3,(H,25,27);2-7,13H,8H2,1H3,(H,21,23);2-3H,1H3,(H,5,6);1H4
• InChIKey: AUFNCNGRLKMOQE-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 176.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.73
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (CID 157232182) is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole.

What is the SMILES notation for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The canonical SMILES for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole is C.COc1nc(C2=NC(c3ccc(OC(F)(F)F)cc3)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3ccc(OC(F)(F)F)cc3)CON2)ccc1Br.Cc1cnc[nH]1.

What is the InChIKey of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The InChIKey is AUFNCNGRLKMOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3.C16H13BrF3N3O3.C4H6N2.CH4/c1-12-9-28(11-24-12)17-8-7-15(26-19(17)29-2)18-25-16(10-30-27-18)13-3-5-14(6-4-13)31-20(21,22)23;1-24-15-11(17)6-7-12(22-15)14-21-13(8-25-23-14)9-2-4-10(5-3-9)26-16(18,19)20;1-4-2-5-3-6-4;/h3-9,11,16H,10H2,1-2H3,(H,25,27);2-7,13H,8H2,1H3,(H,21,23);2-3H,1H3,(H,5,6);1H4.

What are the key properties of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole has a molecular weight of 963.73 g/mol, XLogP of 8.63, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole is sourced from PubChem (CID 157232182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).