2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)

C61H82F3N3O4S3 — CID 158125091

About 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)

2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene) (PubChem CID 158125091) has the molecular formula C61H82F3N3O4S3 and a molecular weight of 1074.54 g/mol. Its IUPAC name is 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene).

Molecular Properties

• Compound Name: 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)
• PubChem CID: 158125091
• Molecular Formula: C61H82F3N3O4S3
• Molecular Weight: 1074.54 g/mol
• Exact Mass: 1073.54
• IUPAC Name: 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)
• SMILES: Cc1cc(C(F)(F)F)oc1C.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccoc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1
• InChI: InChI=1S/2C8H10.C7H7F3O.C7H10O.C7H10S.C6H9NO.2C6H9NS.C6H8O/c2*1-7-5-3-4-6-8(7)2;1-4-3-6(7(8,9)10)11-5(4)2;2*1-5-4-6(2)8-7(5)3;3*1-4-5(2)8-6(3)7-4;1-5-3-4-7-6(5)2/h2*3-6H,1-2H3;3H,1-2H3;2*4H,1-3H3;3*1-3H3;3-4H,1-2H3
• InChIKey: FSBMKJBKOOSFEK-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 91.23 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.54
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)?

The IUPAC name of 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene) (CID 158125091) is 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene).

What is the SMILES notation for 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)?

The canonical SMILES for 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene) is Cc1cc(C(F)(F)F)oc1C.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccoc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.

What is the InChIKey of 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)?

The InChIKey is FSBMKJBKOOSFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.C7H7F3O.C7H10O.C7H10S.C6H9NO.2C6H9NS.C6H8O/c2*1-7-5-3-4-6-8(7)2;1-4-3-6(7(8,9)10)11-5(4)2;2*1-5-4-6(2)8-7(5)3;3*1-4-5(2)8-6(3)7-4;1-5-3-4-7-6(5)2/h2*3-6H,1-2H3;3H,1-2H3;2*4H,1-3H3;3*1-3H3;3-4H,1-2H3.

What are the key properties of 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene)?

2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene) has a molecular weight of 1074.54 g/mol, XLogP of 20.03, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethylfuran;2,3-dimethyl-5-(trifluoromethyl)furan;2,3,5-trimethylfuran;2,4,5-trimethyl-1,3-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);2,3,5-trimethylthiophene;bis(1,2-xylene) is sourced from PubChem (CID 158125091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).