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

C23H33N7O4S — CID 159689872

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

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole (PubChem CID 159689872) has the molecular formula C23H33N7O4S and a molecular weight of 503.63 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole
• PubChem CID: 159689872
• Molecular Formula: C23H33N7O4S
• Molecular Weight: 503.63 g/mol
• Exact Mass: 503.23
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole
• SMILES: Cc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnc(C)o1.Cc1noc(C)n1
• InChI: InChI=1S/2C5H7NO.C5H7NS.2C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3*3H,1-2H3;2*1-2H3
• InChIKey: MWGRZUGSNNWSQH-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 142.79 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	503.63
LogP ≤ 5	5.72
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;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole (CID 159689872) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole.

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

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole is Cc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)s1.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;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole?

The InChIKey is MWGRZUGSNNWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.C5H7NS.2C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3*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;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole?

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole has a molecular weight of 503.63 g/mol, XLogP of 5.72, 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;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 159689872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).