Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)

C₁₈H₂₆N₆O₄ — CID 159842613

About Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)

Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole) (PubChem CID 159842613) has the molecular formula C₁₈H₂₆N₆O₄ and a molecular weight of 390.44 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole).

Molecular Properties

• Compound Name: Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)
• PubChem CID: 159842613
• Molecular Formula: C₁₈H₂₆N₆O₄
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.20
• IUPAC Name: bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)
• SMILES: Cc1cc(C)on1.Cc1cc(C)on1.Cc1noc(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/2C5H7NO.2C4H6N2O/c2*1-4-3-5(2)7-6-4;2*1-3-5-4(2)7-6-3/h2*3H,1-2H3;2*1-2H3
• InChIKey: NOWIDCZOLJRVBC-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 129.90 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)?

The IUPAC name of Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole) (CID 159842613) is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole).

What is the SMILES notation for Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)?

The canonical SMILES for Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole) is Cc1cc(C)on1.Cc1cc(C)on1.Cc1noc(C)n1.Cc1noc(C)n1.

What is the InChIKey of Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)?

The InChIKey is NOWIDCZOLJRVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.2C4H6N2O/c2*1-4-3-5(2)7-6-4;2*1-3-5-4(2)7-6-3/h2*3H,1-2H3;2*1-2H3.

What are the key properties of Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)?

Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole) has a molecular weight of 390.44 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole) is sourced from PubChem (CID 159842613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159842613 — identifiers, structure, computed properties (public domain)

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