2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene

C₁₀₁H₁₂₄F₆N₁₆O₃S₂ — CID 157075972

About 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene

2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene (PubChem CID 157075972) has the molecular formula C₁₀₁H₁₂₄F₆N₁₆O₃S₂ and a molecular weight of 1788.33 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene
• PubChem CID: 157075972
• Molecular Formula: C₁₀₁H₁₂₄F₆N₁₆O₃S₂
• Molecular Weight: 1788.33 g/mol
• Exact Mass: 1786.94
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene
• SMILES: Cc1cc(-c2ccccc2)oc1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)n(-c2ccccc2)n1.Cc1cc(C)n(C(F)(F)F)n1.Cc1cc(C)n(C)c1C.Cc1ccc(C)n1-c1ccccc1.Cc1nc(C)n(C)c1C.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F.Cc1nnc(C)o1
• InChI: InChI=1S/C12H13N.C12H12O.C12H12S.C11H12N2.C10H11N3.C8H13N.C7H12N2.C7H10O.C7H10S.C6H7F3N2.C5H6F3N3.C4H6N2O/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12;2*1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-8-11-12-9(2)13(8)10-6-4-3-5-7-10;1-6-5-7(2)9(4)8(6)3;1-5-6(2)9(4)7(3)8-5;2*1-5-4-6(2)8-7(5)3;1-4-3-5(2)11(10-4)6(7,8)9;1-3-9-10-4(2)11(3)5(6,7)8;1-3-5-6-4(2)7-3/h3-9H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3;5H,1-4H3;1-4H3;2*4H,1-3H3;3H,1-2H3;1-2H3;1-2H3
• InChIKey: ACZCYERVSZVYMS-UHFFFAOYSA-N
• XLogP: 27.27
• TPSA: 189.94 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 5
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.33
LogP ≤ 5	27.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene (CID 157075972) is 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene is Cc1cc(-c2ccccc2)oc1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)n(-c2ccccc2)n1.Cc1cc(C)n(C(F)(F)F)n1.Cc1cc(C)n(C)c1C.Cc1ccc(C)n1-c1ccccc1.Cc1nc(C)n(C)c1C.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F.Cc1nnc(C)o1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene?

The InChIKey is ACZCYERVSZVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C12H12O.C12H12S.C11H12N2.C10H11N3.C8H13N.C7H12N2.C7H10O.C7H10S.C6H7F3N2.C5H6F3N3.C4H6N2O/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12;2*1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-8-11-12-9(2)13(8)10-6-4-3-5-7-10;1-6-5-7(2)9(4)8(6)3;1-5-6(2)9(4)7(3)8-5;2*1-5-4-6(2)8-7(5)3;1-4-3-5(2)11(10-4)6(7,8)9;1-3-9-10-4(2)11(3)5(6,7)8;1-3-5-6-4(2)7-3/h3-9H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3;5H,1-4H3;1-4H3;2*4H,1-3H3;3H,1-2H3;1-2H3;1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene?

2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene has a molecular weight of 1788.33 g/mol, XLogP of 27.27, 5 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene is sourced from PubChem (CID 157075972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157075972 — identifiers, structure, computed properties (public domain)

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