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

C13H20N6O2 — CID 158273965

IUPACbis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole
SMILESCC1=NN=C(C)C1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C5H8N2.2C4H6N2O/c1-4-3-5(2)7-6-4;2*1-3-5-4(2)7-6-3/h3H2,1-2H3;2*1-2H3
InChIKeyGJJNWULQDQXVLW-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.60
Rot. Bonds

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

bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole (PubChem CID 158273965) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole.

Molecular Properties

Compound Namebis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole
PubChem CID158273965
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Namebis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole
SMILESCC1=NN=C(C)C1.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C5H8N2.2C4H6N2O/c1-4-3-5(2)7-6-4;2*1-3-5-4(2)7-6-3/h3H2,1-2H3;2*1-2H3
InChIKeyGJJNWULQDQXVLW-UHFFFAOYSA-N
XLogP2.60
TPSA102.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole?
The IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole (CID 158273965) is bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole.
What is the SMILES notation for bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole?
The canonical SMILES for bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole is CC1=NN=C(C)C1.Cc1noc(C)n1.Cc1noc(C)n1.
What is the InChIKey of bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole?
The InChIKey is GJJNWULQDQXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.2C4H6N2O/c1-4-3-5(2)7-6-4;2*1-3-5-4(2)7-6-3/h3H2,1-2H3;2*1-2H3.
What are the key properties of bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole?
bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole has a molecular weight of 292.34 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-4H-pyrazole is sourced from PubChem (CID 158273965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).