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

C13H20N4O2 — CID 71920851

IUPAC5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1OCc1noc(C(C)(C)C)n1
InChIInChI=1S/C13H20N4O2/c1-8-11(9(2)17(6)15-8)18-7-10-14-12(19-16-10)13(3,4)5/h7H2,1-6H3
InChIKeyVKWAMIFTIVQXGN-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.30
Rot. Bonds3

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

5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 71920851) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID71920851
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1OCc1noc(C(C)(C)C)n1
InChIInChI=1S/C13H20N4O2/c1-8-11(9(2)17(6)15-8)18-7-10-14-12(19-16-10)13(3,4)5/h7H2,1-6H3
InChIKeyVKWAMIFTIVQXGN-UHFFFAOYSA-N
XLogP2.30
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole (CID 71920851) is 5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1OCc1noc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is VKWAMIFTIVQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-11(9(2)17(6)15-8)18-7-10-14-12(19-16-10)13(3,4)5/h7H2,1-6H3.
What are the key properties of 5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71920851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).