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

C18H26N6O4 — CID 159842613

IUPACbis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=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
InChIKeyNOWIDCZOLJRVBC-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.96
Rot. Bonds

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 Namebis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)
PubChem CID159842613
Molecular FormulaC18H26N6O4
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC Namebis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=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
InChIKeyNOWIDCZOLJRVBC-UHFFFAOYSA-N
XLogP3.96
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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).