2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole

C23H34N8O3S — CID 158279225

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole (PubChem CID 158279225) has the molecular formula C23H34N8O3S and a molecular weight of 502.65 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole
• PubChem CID: 158279225
• Molecular Formula: C23H34N8O3S
• Molecular Weight: 502.65 g/mol
• Exact Mass: 502.25
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole
• SMILES: Cc1cc(C)on1.Cc1ccn(C)n1.Cc1csc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1
• InChI: InChI=1S/C5H8N2.C5H7NO.C5H7NS.2C4H6N2O/c1-5-3-4-7(2)6-5;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3-4H,1-2H3;2*3H,1-2H3;2*1-2H3
• InChIKey: GJZRVYFUAOQZED-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 134.58 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	502.65
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole (CID 158279225) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole is Cc1cc(C)on1.Cc1ccn(C)n1.Cc1csc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole?

The InChIKey is GJZRVYFUAOQZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C5H7NO.C5H7NS.2C4H6N2O/c1-5-3-4-7(2)6-5;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3-4H,1-2H3;2*3H,1-2H3;2*1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole?

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole has a molecular weight of 502.65 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 158279225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).