5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

C11H14N4O2 — CID 71920895

IUPAC5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3CCOC3)no2)n(C)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-9(15(2)13-7)11-12-10(14-17-11)8-3-4-16-6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyPSINMLGYNJLQAT-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.28
Rot. Bonds2

About 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 71920895) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID71920895
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3CCOC3)no2)n(C)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-9(15(2)13-7)11-12-10(14-17-11)8-3-4-16-6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyPSINMLGYNJLQAT-UHFFFAOYSA-N
XLogP1.28
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 71920895) is 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cc1cc(-c2nc(C3CCOC3)no2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is PSINMLGYNJLQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-5-9(15(2)13-7)11-12-10(14-17-11)8-3-4-16-6-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 234.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71920895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).