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

C130H157FN12O6+6 — CID 159083693

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

2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium (PubChem CID 159083693) has the molecular formula C130H157FN12O6+6 and a molecular weight of 2002.76 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium.

Molecular Properties

• Compound Name: 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium
• PubChem CID: 159083693
• Molecular Formula: C130H157FN12O6+6
• Molecular Weight: 2002.76 g/mol
• Exact Mass: 2001.23
• IUPAC Name: 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium
• SMILES: C.C.C.C.C.C.Cc1cc(C)c(C)c(-c2c3nc(C(C)C)oc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3nc(C)oc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ncoc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3oc(-c4c(C(C)C)cccc4C(C)C)nc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3oc(-c4ccc(F)cc4)nc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3oc(-c4ccccc4)nc3cc[n+]2C)c1
• InChI: InChI=1S/C28H33N2O.C22H20FN2O.C22H21N2O.C19H23N2O.C17H19N2O.C16H17N2O.6CH4/c1-16(2)21-10-9-11-22(17(3)4)25(21)28-29-24-12-13-30(8)26(27(24)31-28)23-15-18(5)14-19(6)20(23)7;1-13-11-14(2)15(3)18(12-13)20-21-19(9-10-25(20)4)24-22(26-21)16-5-7-17(23)8-6-16;1-14-12-15(2)16(3)18(13-14)20-21-19(10-11-24(20)4)23-22(25-21)17-8-6-5-7-9-17;1-11(2)19-20-17-16(22-19)7-8-21(6)18(17)15-10-12(3)9-13(4)14(15)5;1-10-8-11(2)12(3)14(9-10)17-16-15(6-7-19(17)5)20-13(4)18-16;1-10-7-11(2)12(3)13(8-10)16-15-14(19-9-17-15)5-6-18(16)4;;;;;;/h9-17H,1-8H3;5-12H,1-4H3;5-13H,1-4H3;7-11H,1-6H3;6-9H,1-5H3;5-9H,1-4H3;6*1H4/q6*+1
• InChIKey: QPHKVSDKUQJMDO-UHFFFAOYSA-N
• XLogP: 32.10
• TPSA: 179.46 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2002.76
LogP ≤ 5	32.10
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 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium?

The IUPAC name of 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium (CID 159083693) is 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium.

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

The canonical SMILES for 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium is C.C.C.C.C.C.Cc1cc(C)c(C)c(-c2c3nc(C(C)C)oc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3nc(C)oc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ncoc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3oc(-c4c(C(C)C)cccc4C(C)C)nc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3oc(-c4ccc(F)cc4)nc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3oc(-c4ccccc4)nc3cc[n+]2C)c1.

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

The InChIKey is QPHKVSDKUQJMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N2O.C22H20FN2O.C22H21N2O.C19H23N2O.C17H19N2O.C16H17N2O.6CH4/c1-16(2)21-10-9-11-22(17(3)4)25(21)28-29-24-12-13-30(8)26(27(24)31-28)23-15-18(5)14-19(6)20(23)7;1-13-11-14(2)15(3)18(12-13)20-21-19(9-10-25(20)4)24-22(26-21)16-5-7-17(23)8-6-16;1-14-12-15(2)16(3)18(13-14)20-21-19(10-11-24(20)4)23-22(25-21)17-8-6-5-7-9-17;1-11(2)19-20-17-16(22-19)7-8-21(6)18(17)15-10-12(3)9-13(4)14(15)5;1-10-8-11(2)12(3)14(9-10)17-16-15(6-7-19(17)5)20-13(4)18-16;1-10-7-11(2)12(3)13(8-10)16-15-14(19-9-17-15)5-6-18(16)4;;;;;;/h9-17H,1-8H3;5-12H,1-4H3;5-13H,1-4H3;7-11H,1-6H3;6-9H,1-5H3;5-9H,1-4H3;6*1H4/q6*+1;;;;;;.

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

2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium has a molecular weight of 2002.76 g/mol, XLogP of 32.10, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 159083693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).