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

C32H48N16O3 — CID 158833029

IUPACbis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole)
SMILESCc1ccnc(C)n1.Cc1coc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1ncnc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C6H8N2.C5H7N3.C5H7NO.2C4H7N3.2C4H6N2O/c1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4;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/h3-4H,1-2H3;3H,1-2H3;3*3H,1-2H3;2*1-2H3
InChIKeyIXHBGJREYUBAJC-UHFFFAOYSA-N
MW704.85 g/mol
LogP4.49
Rot. Bonds

About bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole)

bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole) (PubChem CID 158833029) has the molecular formula C32H48N16O3 and a molecular weight of 704.85 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;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;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole)
PubChem CID158833029
Molecular FormulaC32H48N16O3
Molecular Weight704.85 g/mol
Exact Mass704.41
IUPAC Namebis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole)
SMILESCc1ccnc(C)n1.Cc1coc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1ncnc(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C6H8N2.C5H7N3.C5H7NO.2C4H7N3.2C4H6N2O/c1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4;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/h3-4H,1-2H3;3H,1-2H3;3*3H,1-2H3;2*1-2H3
InChIKeyIXHBGJREYUBAJC-UHFFFAOYSA-N
XLogP4.49
TPSA229.74 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.85
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole) with MolForge

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Launch Full Analysis

Related Compounds

3,5-Dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 157710611
1,4-Dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole
CID 158771962
3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);1,3-dimethyl-1,2,4-triazole;1,3-dimethyl-3H-1,2,4-triazol-1-ium
CID 160364240
2,5-dimethyl-4H-imidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole;ethane;2-methyl-1,3-oxazole
CID 160639272
Bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 161051829

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;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;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole) (CID 158833029) is bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;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;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;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;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole) is Cc1ccnc(C)n1.Cc1coc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1ncnc(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;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole)?
The InChIKey is IXHBGJREYUBAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C5H7N3.C5H7NO.2C4H7N3.2C4H6N2O/c1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4;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/h3-4H,1-2H3;3H,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;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole)?
bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole) has a molecular weight of 704.85 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 19 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;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole) is sourced from PubChem (CID 158833029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).