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

C110H130FN10O5+5 — CID 159650382

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

2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium (PubChem CID 159650382) has the molecular formula C110H130FN10O5+5 and a molecular weight of 1691.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium.

Molecular Properties

• Compound Name: 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
• PubChem CID: 159650382
• Molecular Formula: C110H130FN10O5+5
• Molecular Weight: 1691.31 g/mol
• Exact Mass: 1690.02
• IUPAC Name: 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
• SMILES: C.C.C.C.C.Cc1cc(C)c(C)c(-c2c3oc(C)nc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ocnc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(-c4c(C(C)C)cccc4C(C)C)nc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(-c4ccc(F)cc4)nc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(-c4ccccc4)nc3c[n+]2C)c1
• InChI: InChI=1S/C28H33N2O.C22H20FN2O.C22H21N2O.C17H19N2O.C16H17N2O.5CH4/c1-16(2)21-10-9-11-22(17(3)4)27(21)28-29-24-15-30(8)25(14-26(24)31-28)23-13-18(5)12-19(6)20(23)7;1-13-9-14(2)15(3)18(10-13)20-11-21-19(12-25(20)4)24-22(26-21)16-5-7-17(23)8-6-16;1-14-10-15(2)16(3)18(11-14)20-12-21-19(13-24(20)4)23-22(25-21)17-8-6-5-7-9-17;1-10-8-11(2)12(3)14(9-10)16-17-15(6-7-19(16)5)18-13(4)20-17;1-10-7-11(2)12(3)13(8-10)15-16-14(17-9-19-16)5-6-18(15)4;;;;;/h9-17H,1-8H3;5-12H,1-4H3;5-13H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;5*1H4/q5*+1
• InChIKey: SOVCNAGDYJFSMC-UHFFFAOYSA-N
• XLogP: 27.10
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1691.31
LogP ≤ 5	27.10
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-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium?

The IUPAC name of 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium (CID 159650382) is 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium.

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

The canonical SMILES for 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium is C.C.C.C.C.Cc1cc(C)c(C)c(-c2c3oc(C)nc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ocnc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(-c4c(C(C)C)cccc4C(C)C)nc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(-c4ccc(F)cc4)nc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3oc(-c4ccccc4)nc3c[n+]2C)c1.

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

The InChIKey is SOVCNAGDYJFSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N2O.C22H20FN2O.C22H21N2O.C17H19N2O.C16H17N2O.5CH4/c1-16(2)21-10-9-11-22(17(3)4)27(21)28-29-24-15-30(8)25(14-26(24)31-28)23-13-18(5)12-19(6)20(23)7;1-13-9-14(2)15(3)18(10-13)20-11-21-19(12-25(20)4)24-22(26-21)16-5-7-17(23)8-6-16;1-14-10-15(2)16(3)18(11-14)20-12-21-19(13-24(20)4)23-22(25-21)17-8-6-5-7-9-17;1-10-8-11(2)12(3)14(9-10)16-17-15(6-7-19(16)5)18-13(4)20-17;1-10-7-11(2)12(3)13(8-10)15-16-14(17-9-19-16)5-6-18(15)4;;;;;/h9-17H,1-8H3;5-12H,1-4H3;5-13H,1-4H3;6-9H,1-5H3;5-9H,1-4H3;5*1H4/q5*+1;;;;;.

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

2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium has a molecular weight of 1691.31 g/mol, XLogP of 27.10, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium is sourced from PubChem (CID 159650382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).