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

C42H41BrF6N10O4 — CID 161221090

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

3-(5-bromo-6-methoxy-2-pyridinyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;5-methyl-1H-imidazole (PubChem CID 161221090) has the molecular formula C42H41BrF6N10O4 and a molecular weight of 943.75 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;5-methyl-1H-imidazole.

Molecular Properties

• Compound Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;5-methyl-1H-imidazole
• PubChem CID: 161221090
• Molecular Formula: C42H41BrF6N10O4
• Molecular Weight: 943.75 g/mol
• Exact Mass: 942.24
• IUPAC Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;5-methyl-1H-imidazole
• SMILES: COc1nc(C2=NOCC(c3cccc(C(F)(F)F)c3)N2C)ccc1-n1cnc(C)c1.COc1nc(C2=NOCC(c3cccc(C(F)(F)F)c3)N2C)ccc1Br.Cc1cnc[nH]1
• InChI: InChI=1S/C21H20F3N5O2.C17H15BrF3N3O2.C4H6N2/c1-13-10-29(12-25-13)17-8-7-16(26-20(17)30-3)19-27-31-11-18(28(19)2)14-5-4-6-15(9-14)21(22,23)24;1-24-14(10-4-3-5-11(8-10)17(19,20)21)9-26-23-15(24)13-7-6-12(18)16(22-13)25-2;1-4-2-5-3-6-4/h4-10,12,18H,11H2,1-3H3;3-8,14H,9H2,1-2H3;2-3H,1H3,(H,5,6)
• InChIKey: UXNCVKOBFPAQBF-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 140.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.75
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;5-methyl-1H-imidazole (CID 161221090) is 3-(5-bromo-6-methoxy-2-pyridinyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;5-methyl-1H-imidazole.

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

The canonical SMILES for 3-(5-bromo-6-methoxy-2-pyridinyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;5-methyl-1H-imidazole is COc1nc(C2=NOCC(c3cccc(C(F)(F)F)c3)N2C)ccc1-n1cnc(C)c1.COc1nc(C2=NOCC(c3cccc(C(F)(F)F)c3)N2C)ccc1Br.Cc1cnc[nH]1.

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

The InChIKey is UXNCVKOBFPAQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2.C17H15BrF3N3O2.C4H6N2/c1-13-10-29(12-25-13)17-8-7-16(26-20(17)30-3)19-27-31-11-18(28(19)2)14-5-4-6-15(9-14)21(22,23)24;1-24-14(10-4-3-5-11(8-10)17(19,20)21)9-26-23-15(24)13-7-6-12(18)16(22-13)25-2;1-4-2-5-3-6-4/h4-10,12,18H,11H2,1-3H3;3-8,14H,9H2,1-2H3;2-3H,1H3,(H,5,6).

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

3-(5-bromo-6-methoxy-2-pyridinyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;5-methyl-1H-imidazole has a molecular weight of 943.75 g/mol, XLogP of 8.92, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-6-methoxy-2-pyridinyl)-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,2,4-oxadiazine;5-methyl-1H-imidazole is sourced from PubChem (CID 161221090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).