3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole

C11H16N4O2 — CID 71854184

IUPAC3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCCc1noc(COc2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H16N4O2/c1-5-9-12-10(17-14-9)6-16-11-7(2)13-15(4)8(11)3/h5-6H2,1-4H3
InChIKeyZPDQNQWGNKVZHO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.56
Rot. Bonds4

About 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole

3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 71854184) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID71854184
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCCc1noc(COc2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H16N4O2/c1-5-9-12-10(17-14-9)6-16-11-7(2)13-15(4)8(11)3/h5-6H2,1-4H3
InChIKeyZPDQNQWGNKVZHO-UHFFFAOYSA-N
XLogP1.56
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole (CID 71854184) is 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole is CCc1noc(COc2c(C)nn(C)c2C)n1.
What is the InChIKey of 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is ZPDQNQWGNKVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-5-9-12-10(17-14-9)6-16-11-7(2)13-15(4)8(11)3/h5-6H2,1-4H3.
What are the key properties of 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71854184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).