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

C17H26N8O3 — CID 160810543

IUPAC2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole
SMILESCc1ccn(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C5H8N2.3C4H6N2O/c1-5-3-4-7(2)6-5;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h3-4H,1-2H3;3*1-2H3
InChIKeySEGLILRNTQUDOX-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.79
Rot. Bonds

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

2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole (PubChem CID 160810543) has the molecular formula C17H26N8O3 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole
PubChem CID160810543
Molecular FormulaC17H26N8O3
Molecular Weight390.45 g/mol
Exact Mass390.21
IUPAC Name2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole
SMILESCc1ccn(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C5H8N2.3C4H6N2O/c1-5-3-4-7(2)6-5;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h3-4H,1-2H3;3*1-2H3
InChIKeySEGLILRNTQUDOX-UHFFFAOYSA-N
XLogP2.79
TPSA134.58 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole?
The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole (CID 160810543) is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole.
What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole?
The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole is Cc1ccn(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1.
What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole?
The InChIKey is SEGLILRNTQUDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.3C4H6N2O/c1-5-3-4-7(2)6-5;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h3-4H,1-2H3;3*1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole?
2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole has a molecular weight of 390.45 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole is sourced from PubChem (CID 160810543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).