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

C48H74N20O3 — CID 160602501

IUPACbis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole)
SMILESCc1cccc(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C7H9N.4C5H8N2.C5H7NO.2C4H7N3.2C4H6N2O/c1-6-4-3-5-7(2)8-6;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;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/h3-5H,1-2H3;4*3-4H,1-2H3;3*3H,1-2H3;2*1-2H3
InChIKeyRELSRQFVGZOGSR-UHFFFAOYSA-N
MW979.26 g/mol
LogP7.52
Rot. Bonds

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

bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole) (PubChem CID 160602501) has the molecular formula C48H74N20O3 and a molecular weight of 979.26 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole).

Molecular Properties

Compound Namebis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole)
PubChem CID160602501
Molecular FormulaC48H74N20O3
Molecular Weight979.26 g/mol
Exact Mass978.63
IUPAC Namebis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole)
SMILESCc1cccc(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C7H9N.4C5H8N2.C5H7NO.2C4H7N3.2C4H6N2O/c1-6-4-3-5-7(2)8-6;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;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/h3-5H,1-2H3;4*3-4H,1-2H3;3*3H,1-2H3;2*1-2H3
InChIKeyRELSRQFVGZOGSR-UHFFFAOYSA-N
XLogP7.52
TPSA249.46 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.26
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole)?
The IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole) (CID 160602501) is bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole).
What is the SMILES notation for bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole)?
The canonical SMILES for bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole) is Cc1cccc(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(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);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole)?
The InChIKey is RELSRQFVGZOGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.4C5H8N2.C5H7NO.2C4H7N3.2C4H6N2O/c1-6-4-3-5-7(2)8-6;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;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/h3-5H,1-2H3;4*3-4H,1-2H3;3*3H,1-2H3;2*1-2H3.
What are the key properties of bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole)?
bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole) has a molecular weight of 979.26 g/mol, XLogP of 7.52, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(1,3-dimethyl-1,2,4-triazole) is sourced from PubChem (CID 160602501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).