1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene

C186H172N7O6+ — CID 160924369

About 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene

1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene (PubChem CID 160924369) has the molecular formula C186H172N7O6+ and a molecular weight of 2601.46 g/mol. Its IUPAC name is 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene.

Molecular Properties

• Compound Name: 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene
• PubChem CID: 160924369
• Molecular Formula: C186H172N7O6+
• Molecular Weight: 2601.46 g/mol
• Exact Mass: 2599.34
• IUPAC Name: 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene
• SMILES: C.C/C=C/c1ccc(-c2ccccc2)cc1.C/C=C/c1ccccc1.C/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1cc2ccccc2o1.Cc1cc[n+](C)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccccc1.Cc1nc2ccccc2o1.Cc1ncc(-c2ccccc2)o1
• InChI: InChI=1S/C31H24.C25H20.C19H16.C15H14.C13H12.C12H11NO.C10H10N2O.2C10H9NO.C9H8O.C9H10.C8H7NO.C7H10N.C7H8.CH4/c1-23-7-9-25(10-8-23)27-15-17-29(18-16-27)31-21-19-30(20-22-31)28-13-11-26(12-14-28)24-5-3-2-4-6-24;1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-2-5-10-11-8-6-3-4-7-9(8)12-10;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-7-4-3-5-8-9;1-6-9-7-4-2-3-5-8(7)10-6;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h2-22H,1H3;2-18H,1H3;2-14H,1H3;2-12H,1H3;2-10H,1H3;2-9H,1H3;3-6H,1-2H3;2*2-7H,1H3;2-6H,1H3;2-8H,1H3;2-5H,1H3;3-6H,1-2H3;2-6H,1H3;1H4/q;;;;;;;;;;;;+1;;/b;;;6-2+;;6-2+;;;5-2+;;6-2+
• InChIKey: LCAAGDDKZSHICI-YTRSLJKDSA-N
• XLogP: 51.32
• TPSA: 160.06 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2601.46
LogP ≤ 5	51.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene?

The IUPAC name of 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene (CID 160924369) is 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene.

What is the SMILES notation for 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene?

The canonical SMILES for 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene is C.C/C=C/c1ccc(-c2ccccc2)cc1.C/C=C/c1ccccc1.C/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1cc2ccccc2o1.Cc1cc[n+](C)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccccc1.Cc1nc2ccccc2o1.Cc1ncc(-c2ccccc2)o1.

What is the InChIKey of 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene?

The InChIKey is LCAAGDDKZSHICI-YTRSLJKDSA-N. The full InChI is InChI=1S/C31H24.C25H20.C19H16.C15H14.C13H12.C12H11NO.C10H10N2O.2C10H9NO.C9H8O.C9H10.C8H7NO.C7H10N.C7H8.CH4/c1-23-7-9-25(10-8-23)27-15-17-29(18-16-27)31-21-19-30(20-22-31)28-13-11-26(12-14-28)24-5-3-2-4-6-24;1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-2-5-10-11-8-6-3-4-7-9(8)12-10;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-7-4-3-5-8-9;1-6-9-7-4-2-3-5-8(7)10-6;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h2-22H,1H3;2-18H,1H3;2-14H,1H3;2-12H,1H3;2-10H,1H3;2-9H,1H3;3-6H,1-2H3;2*2-7H,1H3;2-6H,1H3;2-8H,1H3;2-5H,1H3;3-6H,1-2H3;2-6H,1H3;1H4/q;;;;;;;;;;;;+1;;/b;;;6-2+;;6-2+;;;5-2+;;6-2+;;;;.

What are the key properties of 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene?

1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene has a molecular weight of 2601.46 g/mol, XLogP of 51.32, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylpyridin-1-ium;methane;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;[(E)-prop-1-enyl]benzene;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene is sourced from PubChem (CID 160924369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).