bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)

C70H104N24O4S2 — CID 159272575

About bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)

bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) (PubChem CID 159272575) has the molecular formula C70H104N24O4S2 and a molecular weight of 1409.90 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole).

Molecular Properties

• Compound Name: bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
• PubChem CID: 159272575
• Molecular Formula: C70H104N24O4S2
• Molecular Weight: 1409.90 g/mol
• Exact Mass: 1408.81
• IUPAC Name: bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
• SMILES: Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/2C7H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3.2C4H6N2O/c1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;4*1-4-3-7-5(2)6-4;2*1-4-5-3-7(2)6-4;2*1-3-5-4(2)7-6-3/h2*3-5H,1-2H3;4*3-4H,1-2H3;6*3H,1-2H3;2*1-2H3
• InChIKey: KXWXSXYGCWOIQT-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 314.16 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1409.90
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)?

The IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) (CID 159272575) is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole).

What is the SMILES notation for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)?

The canonical SMILES for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) is Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.

What is the InChIKey of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)?

The InChIKey is KXWXSXYGCWOIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N.4C5H8N2.2C5H7NO.2C5H7NS.2C4H7N3.2C4H6N2O/c1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;4*1-4-3-7-5(2)6-4;2*1-4-5-3-7(2)6-4;2*1-3-5-4(2)7-6-3/h2*3-5H,1-2H3;4*3-4H,1-2H3;6*3H,1-2H3;2*1-2H3.

What are the key properties of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)?

bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) has a molecular weight of 1409.90 g/mol, XLogP of 14.03, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole) is sourced from PubChem (CID 159272575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).