5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium)

C79H96N5O5+5 — CID 157060943

About 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium)

5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium) (PubChem CID 157060943) has the molecular formula C79H96N5O5+5 and a molecular weight of 1195.67 g/mol. Its IUPAC name is 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium).

Molecular Properties

• Compound Name: 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium)
• PubChem CID: 157060943
• Molecular Formula: C79H96N5O5+5
• Molecular Weight: 1195.67 g/mol
• Exact Mass: 1194.74
• IUPAC Name: 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium)
• SMILES: Cc1ccccc1-[n+]1c(C)oc(-c2ccccc2)c1C.Cc1ccccc1-[n+]1c(C)oc(C)c1C.Cc1ccccc1-[n+]1c(C)oc(C)c1C.Cc1ccccc1-[n+]1c(C)oc(C2CCCC2)c1C.Cc1ccccc1-[n+]1c(C)oc(C2CCCCC2)c1C
• InChI: InChI=1S/C18H24NO.C18H18NO.C17H22NO.2C13H16NO/c2*1-13-9-7-8-12-17(13)19-14(2)18(20-15(19)3)16-10-5-4-6-11-16;1-12-8-4-7-11-16(12)18-13(2)17(19-14(18)3)15-9-5-6-10-15;2*1-9-7-5-6-8-13(9)14-10(2)11(3)15-12(14)4/h7-9,12,16H,4-6,10-11H2,1-3H3;4-12H,1-3H3;4,7-8,11,15H,5-6,9-10H2,1-3H3;2*5-8H,1-4H3/q5*+1
• InChIKey: FDOGSCUMCFDLNP-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 85.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1195.67
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium)?

The IUPAC name of 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium) (CID 157060943) is 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium).

What is the SMILES notation for 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium)?

The canonical SMILES for 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium) is Cc1ccccc1-[n+]1c(C)oc(-c2ccccc2)c1C.Cc1ccccc1-[n+]1c(C)oc(C)c1C.Cc1ccccc1-[n+]1c(C)oc(C)c1C.Cc1ccccc1-[n+]1c(C)oc(C2CCCC2)c1C.Cc1ccccc1-[n+]1c(C)oc(C2CCCCC2)c1C.

What is the InChIKey of 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium)?

The InChIKey is FDOGSCUMCFDLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO.C18H18NO.C17H22NO.2C13H16NO/c2*1-13-9-7-8-12-17(13)19-14(2)18(20-15(19)3)16-10-5-4-6-11-16;1-12-8-4-7-11-16(12)18-13(2)17(19-14(18)3)15-9-5-6-10-15;2*1-9-7-5-6-8-13(9)14-10(2)11(3)15-12(14)4/h7-9,12,16H,4-6,10-11H2,1-3H3;4-12H,1-3H3;4,7-8,11,15H,5-6,9-10H2,1-3H3;2*5-8H,1-4H3/q5*+1.

What are the key properties of 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium)?

5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium) has a molecular weight of 1195.67 g/mol, XLogP of 18.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;5-cyclopentyl-2,4-dimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium;2,4-dimethyl-3-(2-methylphenyl)-5-phenyl-1,3-oxazol-3-ium;bis(2,4,5-trimethyl-3-(2-methylphenyl)-1,3-oxazol-3-ium) is sourced from PubChem (CID 157060943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).