2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole

C41H63N17O4S — CID 159038336

About 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole

2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole (PubChem CID 159038336) has the molecular formula C41H63N17O4S and a molecular weight of 890.14 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole
• PubChem CID: 159038336
• Molecular Formula: C41H63N17O4S
• Molecular Weight: 890.14 g/mol
• Exact Mass: 889.50
• IUPAC Name: 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole
• SMILES: Cc1cc(C)on1.Cc1ccn(C)n1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1cnn(C)c1.Cc1ncn(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/3C5H8N2.C5H7NO.C5H7NS.C4H7N3.3C4H6N2O/c1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h2*3-4H,1-2H3;3H,1-2H3,(H,6,7);3*3H,1-2H3;3*1-2H3
• InChIKey: JVSRLEKOIQPWGG-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 250.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	890.14
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole?

The IUPAC name of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole (CID 159038336) is 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole.

What is the SMILES notation for 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole?

The canonical SMILES for 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole is Cc1cc(C)on1.Cc1ccn(C)n1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1cnn(C)c1.Cc1ncn(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole?

The InChIKey is JVSRLEKOIQPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H8N2.C5H7NO.C5H7NS.C4H7N3.3C4H6N2O/c1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h2*3-4H,1-2H3;3H,1-2H3,(H,6,7);3*3H,1-2H3;3*1-2H3.

What are the key properties of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole?

2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole has a molecular weight of 890.14 g/mol, XLogP of 7.72, 0 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole is sourced from PubChem (CID 159038336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).