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

C22H32N8O3S2 — CID 160701313

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;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;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole (PubChem CID 160701313) has the molecular formula C22H32N8O3S2 and a molecular weight of 520.69 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;2,5-dimethyl-1,3,4-thiadiazole;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;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole
• PubChem CID: 160701313
• Molecular Formula: C22H32N8O3S2
• Molecular Weight: 520.69 g/mol
• Exact Mass: 520.20
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole
• SMILES: Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1
• InChI: InChI=1S/C5H7NO.C5H7NS.2C4H6N2O.C4H6N2S/c2*1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h2*3H,1-2H3;3*1-2H3
• InChIKey: RQQPJGQDMKZZGZ-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 142.54 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	520.69
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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;2,5-dimethyl-1,3,4-thiadiazole;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;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole (CID 160701313) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3,4-thiadiazole;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;2,5-dimethyl-1,3,4-thiadiazole;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;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole is Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnc(C)o1.Cc1nnc(C)s1.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;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole?

The InChIKey is RQQPJGQDMKZZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C5H7NS.2C4H6N2O.C4H6N2S/c2*1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h2*3H,1-2H3;3*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;2,5-dimethyl-1,3,4-thiadiazole;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;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole has a molecular weight of 520.69 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 13 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;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 160701313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).