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

C₁₃₆H₁₅₆FN₁₄O₇+7 — CID 158004437

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

2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium (PubChem CID 158004437) has the molecular formula C₁₃₆H₁₅₆FN₁₄O₇+7 and a molecular weight of 2118.84 g/mol. Its IUPAC name is 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium.

Molecular Properties

• Compound Name: 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium
• PubChem CID: 158004437
• Molecular Formula: C₁₃₆H₁₅₆FN₁₄O₇+7
• Molecular Weight: 2118.84 g/mol
• Exact Mass: 2117.23
• IUPAC Name: 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium
• SMILES: C.C.C.C.C.C.C.Cc1ccccc1-c1c2ncoc2cc[n+]1C.Cc1ccccc1-c1c2oc(-c3c(C(C)C)cccc3C(C)C)nc2cc[n+]1C.Cc1ccccc1-c1c2oc(-c3ccc(F)cc3)nc2cc[n+]1C.Cc1ccccc1-c1c2oc(-c3ccccc3)nc2cc[n+]1C.Cc1ccccc1-c1c2oc(C(C)C)nc2cc[n+]1C.Cc1nc2cc[n+](C)c(-c3ccccc3C)c2o1.[2H]C(C)(C)c1nc2cc[n+](C)c(-c3ccccc3C)c2o1
• InChI: InChI=1S/C26H29N2O.C20H16FN2O.C20H17N2O.2C17H19N2O.C15H15N2O.C14H13N2O.7CH4/c1-16(2)19-12-9-13-20(17(3)4)23(19)26-27-22-14-15-28(6)24(25(22)29-26)21-11-8-7-10-18(21)5;1-13-5-3-4-6-16(13)18-19-17(11-12-23(18)2)22-20(24-19)14-7-9-15(21)10-8-14;1-14-8-6-7-11-16(14)18-19-17(12-13-22(18)2)21-20(23-19)15-9-4-3-5-10-15;2*1-11(2)17-18-14-9-10-19(4)15(16(14)20-17)13-8-6-5-7-12(13)3;1-10-6-4-5-7-12(10)14-15-13(8-9-17(14)3)16-11(2)18-15;1-10-5-3-4-6-11(10)14-13-12(17-9-15-13)7-8-16(14)2;;;;;;;/h7-17H,1-6H3;3-12H,1-2H3;3-13H,1-2H3;2*5-11H,1-4H3;4-9H,1-3H3;3-9H,1-2H3;7*1H4/q7*+1;;;;;;;/i;;;11D
• InChIKey: SDCPWNIDAOQZBL-VUWMISCYSA-N
• XLogP: 32.79
• TPSA: 209.37 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2118.84
LogP ≤ 5	32.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium (CID 158004437) is 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium.

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

The canonical SMILES for 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium is C.C.C.C.C.C.C.Cc1ccccc1-c1c2ncoc2cc[n+]1C.Cc1ccccc1-c1c2oc(-c3c(C(C)C)cccc3C(C)C)nc2cc[n+]1C.Cc1ccccc1-c1c2oc(-c3ccc(F)cc3)nc2cc[n+]1C.Cc1ccccc1-c1c2oc(-c3ccccc3)nc2cc[n+]1C.Cc1ccccc1-c1c2oc(C(C)C)nc2cc[n+]1C.Cc1nc2cc[n+](C)c(-c3ccccc3C)c2o1.[2H]C(C)(C)c1nc2cc[n+](C)c(-c3ccccc3C)c2o1.

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

The InChIKey is SDCPWNIDAOQZBL-VUWMISCYSA-N. The full InChI is InChI=1S/C26H29N2O.C20H16FN2O.C20H17N2O.2C17H19N2O.C15H15N2O.C14H13N2O.7CH4/c1-16(2)19-12-9-13-20(17(3)4)23(19)26-27-22-14-15-28(6)24(25(22)29-26)21-11-8-7-10-18(21)5;1-13-5-3-4-6-16(13)18-19-17(11-12-23(18)2)22-20(24-19)14-7-9-15(21)10-8-14;1-14-8-6-7-11-16(14)18-19-17(12-13-22(18)2)21-20(23-19)15-9-4-3-5-10-15;2*1-11(2)17-18-14-9-10-19(4)15(16(14)20-17)13-8-6-5-7-12(13)3;1-10-6-4-5-7-12(10)14-15-13(8-9-17(14)3)16-11(2)18-15;1-10-5-3-4-6-11(10)14-13-12(17-9-15-13)7-8-16(14)2;;;;;;;/h7-17H,1-6H3;3-12H,1-2H3;3-13H,1-2H3;2*5-11H,1-4H3;4-9H,1-3H3;3-9H,1-2H3;7*1H4/q7*+1;;;;;;;/i;;;11D;;;;;;;;;;.

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

2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium has a molecular weight of 2118.84 g/mol, XLogP of 32.79, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-5-ium is sourced from PubChem (CID 158004437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158004437 — identifiers, structure, computed properties (public domain)

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