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

C84H91FN8O4+4 — CID 160525343

IUPAC2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium
SMILESC.C.C.C.Cc1ccccc1-c1cc2nc(-c3c(C(C)C)cccc3C(C)C)oc2c[n+]1C.Cc1ccccc1-c1cc2nc(-c3ccc(F)cc3)oc2c[n+]1C.Cc1ccccc1-c1cc2nc(-c3ccccc3)oc2c[n+]1C.Cc1ccccc1-c1cc2ocnc2c[n+]1C
InChIInChI=1S/C26H29N2O.C20H16FN2O.C20H17N2O.C14H13N2O.4CH4/c1-16(2)19-12-9-13-20(17(3)4)25(19)26-27-22-14-23(28(6)15-24(22)29-26)21-11-8-7-10-18(21)5;1-13-5-3-4-6-16(13)18-11-17-19(12-23(18)2)24-20(22-17)14-7-9-15(21)10-8-14;1-14-8-6-7-11-16(14)18-12-17-19(13-22(18)2)23-20(21-17)15-9-4-3-5-10-15;1-10-5-3-4-6-11(10)13-7-14-12(8-16(13)2)15-9-17-14;;;;/h7-17H,1-6H3;3-12H,1-2H3;3-13H,1-2H3;3-9H,1-2H3;4*1H4/q4*+1;;;;
InChIKeyMUUXYUZVNISXBQ-UHFFFAOYSA-N
MW1295.70 g/mol
LogP20.44
Rot. Bonds9

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

2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium (PubChem CID 160525343) has the molecular formula C84H91FN8O4+4 and a molecular weight of 1295.70 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium
PubChem CID160525343
Molecular FormulaC84H91FN8O4+4
Molecular Weight1295.70 g/mol
Exact Mass1294.71
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium
SMILESC.C.C.C.Cc1ccccc1-c1cc2nc(-c3c(C(C)C)cccc3C(C)C)oc2c[n+]1C.Cc1ccccc1-c1cc2nc(-c3ccc(F)cc3)oc2c[n+]1C.Cc1ccccc1-c1cc2nc(-c3ccccc3)oc2c[n+]1C.Cc1ccccc1-c1cc2ocnc2c[n+]1C
InChIInChI=1S/C26H29N2O.C20H16FN2O.C20H17N2O.C14H13N2O.4CH4/c1-16(2)19-12-9-13-20(17(3)4)25(19)26-27-22-14-23(28(6)15-24(22)29-26)21-11-8-7-10-18(21)5;1-13-5-3-4-6-16(13)18-11-17-19(12-23(18)2)24-20(22-17)14-7-9-15(21)10-8-14;1-14-8-6-7-11-16(14)18-12-17-19(13-22(18)2)23-20(21-17)15-9-4-3-5-10-15;1-10-5-3-4-6-11(10)13-7-14-12(8-16(13)2)15-9-17-14;;;;/h7-17H,1-6H3;3-12H,1-2H3;3-13H,1-2H3;3-9H,1-2H3;4*1H4/q4*+1;;;;
InChIKeyMUUXYUZVNISXBQ-UHFFFAOYSA-N
XLogP20.44
TPSA119.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.70
LogP ≤ 520.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

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
6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole
CID 140904312
4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium
CID 123727172
5-(2-deuteriopropan-2-yl)-4-(6-fluoronaphthalen-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830033
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123794284
acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
CID 175273673
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
CID 167365037
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
4,5-bis(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140878082
4-tert-butyl-1-methyl-2-(2-methylphenyl)-5-propan-2-ylpyridin-1-ium
CID 164727662
1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium
CID 157295818

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium (CID 160525343) is 2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium is C.C.C.C.Cc1ccccc1-c1cc2nc(-c3c(C(C)C)cccc3C(C)C)oc2c[n+]1C.Cc1ccccc1-c1cc2nc(-c3ccc(F)cc3)oc2c[n+]1C.Cc1ccccc1-c1cc2nc(-c3ccccc3)oc2c[n+]1C.Cc1ccccc1-c1cc2ocnc2c[n+]1C.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium?
The InChIKey is MUUXYUZVNISXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N2O.C20H16FN2O.C20H17N2O.C14H13N2O.4CH4/c1-16(2)19-12-9-13-20(17(3)4)25(19)26-27-22-14-23(28(6)15-24(22)29-26)21-11-8-7-10-18(21)5;1-13-5-3-4-6-16(13)18-11-17-19(12-23(18)2)24-20(22-17)14-7-9-15(21)10-8-14;1-14-8-6-7-11-16(14)18-12-17-19(13-22(18)2)23-20(21-17)15-9-4-3-5-10-15;1-10-5-3-4-6-11(10)13-7-14-12(8-16(13)2)15-9-17-14;;;;/h7-17H,1-6H3;3-12H,1-2H3;3-13H,1-2H3;3-9H,1-2H3;4*1H4/q4*+1;;;;.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium?
2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium has a molecular weight of 1295.70 g/mol, XLogP of 20.44, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-6-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium is sourced from PubChem (CID 160525343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).