2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium

C107H132FN10O5+5 — CID 158249266

About 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium

2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium (PubChem CID 158249266) has the molecular formula C107H132FN10O5+5 and a molecular weight of 1657.30 g/mol. Its IUPAC name is 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium.

Molecular Properties

• Compound Name: 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium
• PubChem CID: 158249266
• Molecular Formula: C107H132FN10O5+5
• Molecular Weight: 1657.30 g/mol
• Exact Mass: 1656.03
• IUPAC Name: 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium
• SMILES: C.C.C.C.C.Cc1cc(C)c(C)c(-c2cc3nc(-c4c(C(C)C)cccc4C(C)C)oc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3nc(-c4ccc(F)cc4)oc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(C(C)C)nc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(C)nc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3ocnc3c[n+]2C)c1
• InChI: InChI=1S/C28H33N2O.C22H20FN2O.C19H23N2O.C17H19N2O.C16H17N2O.5CH4/c1-16(2)21-10-9-11-22(17(3)4)27(21)28-29-24-14-25(30(8)15-26(24)31-28)23-13-18(5)12-19(6)20(23)7;1-13-9-14(2)15(3)18(10-13)20-11-19-21(12-25(20)4)26-22(24-19)16-5-7-17(23)8-6-16;1-11(2)19-20-16-10-21(6)17(9-18(16)22-19)15-8-12(3)7-13(4)14(15)5;1-10-6-11(2)12(3)14(7-10)16-8-17-15(9-19(16)5)18-13(4)20-17;1-10-5-11(2)12(3)13(6-10)15-7-16-14(8-18(15)4)17-9-19-16;;;;;/h9-17H,1-8H3;5-12H,1-4H3;7-11H,1-6H3;6-9H,1-5H3;5-9H,1-4H3;5*1H4/q5*+1
• InChIKey: IHGLEAIXNPUNCR-UHFFFAOYSA-N
• XLogP: 26.56
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1657.30
LogP ≤ 5	26.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium?

The IUPAC name of 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium (CID 158249266) is 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium.

What is the SMILES notation for 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium?

The canonical SMILES for 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium is C.C.C.C.C.Cc1cc(C)c(C)c(-c2cc3nc(-c4c(C(C)C)cccc4C(C)C)oc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3nc(-c4ccc(F)cc4)oc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(C(C)C)nc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(C)nc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3ocnc3c[n+]2C)c1.

What is the InChIKey of 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium?

The InChIKey is IHGLEAIXNPUNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N2O.C22H20FN2O.C19H23N2O.C17H19N2O.C16H17N2O.5CH4/c1-16(2)21-10-9-11-22(17(3)4)27(21)28-29-24-14-25(30(8)15-26(24)31-28)23-13-18(5)12-19(6)20(23)7;1-13-9-14(2)15(3)18(10-13)20-11-19-21(12-25(20)4)26-22(24-19)16-5-7-17(23)8-6-16;1-11(2)19-20-16-10-21(6)17(9-18(16)22-19)15-8-12(3)7-13(4)14(15)5;1-10-6-11(2)12(3)14(7-10)16-8-17-15(9-19(16)5)18-13(4)20-17;1-10-5-11(2)12(3)13(6-10)15-7-16-14(8-18(15)4)17-9-19-16;;;;;/h9-17H,1-8H3;5-12H,1-4H3;7-11H,1-6H3;6-9H,1-5H3;5-9H,1-4H3;5*1H4/q5*+1;;;;;.

What are the key properties of 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium?

2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium has a molecular weight of 1657.30 g/mol, XLogP of 26.56, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 158249266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).