4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene

C60H86N12OS2 — CID 158017064

About 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene

4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene (PubChem CID 158017064) has the molecular formula C60H86N12OS2 and a molecular weight of 1055.56 g/mol. Its IUPAC name is 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene.

Molecular Properties

• Compound Name: 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene
• PubChem CID: 158017064
• Molecular Formula: C60H86N12OS2
• Molecular Weight: 1055.56 g/mol
• Exact Mass: 1054.65
• IUPAC Name: 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene
• SMILES: C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnoc1C.Cc1cnsc1C.Cc1nccnc1C
• InChI: InChI=1S/C8H10.2C7H9N.C6H8N2.C6H8S.3C5H8N2.C5H7NO.C5H7NS.CH4/c1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-6(5)2;5*1-4-3-6-7-5(4)2;/h3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;3-4H,1-2H3;3*3H,1-2H3,(H,6,7);2*3H,1-2H3;1H4
• InChIKey: FFPHLTQTWDJIDL-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 176.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.56
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene?

The IUPAC name of 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene (CID 158017064) is 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene.

What is the SMILES notation for 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene?

The canonical SMILES for 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene is C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnoc1C.Cc1cnsc1C.Cc1nccnc1C.

What is the InChIKey of 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene?

The InChIKey is FFPHLTQTWDJIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H9N.C6H8N2.C6H8S.3C5H8N2.C5H7NO.C5H7NS.CH4/c1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-6(5)2;5*1-4-3-6-7-5(4)2;/h3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;3-4H,1-2H3;3*3H,1-2H3,(H,6,7);2*3H,1-2H3;1H4.

What are the key properties of 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene?

4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene has a molecular weight of 1055.56 g/mol, XLogP of 15.93, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene is sourced from PubChem (CID 158017064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).