3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole

C7H11F3N2O — CID 170288203

IUPAC3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCC(C)(C)C1=NC(C(F)(F)F)ON1
InChIInChI=1S/C7H11F3N2O/c1-6(2,3)4-11-5(13-12-4)7(8,9)10/h5H,1-3H3,(H,11,12)
InChIKeyFXPPEAXUUPJGTF-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.85
Rot. Bonds

About 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole

3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 170288203) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID170288203
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCC(C)(C)C1=NC(C(F)(F)F)ON1
InChIInChI=1S/C7H11F3N2O/c1-6(2,3)4-11-5(13-12-4)7(8,9)10/h5H,1-3H3,(H,11,12)
InChIKeyFXPPEAXUUPJGTF-UHFFFAOYSA-N
XLogP1.85
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole (CID 170288203) is 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole is CC(C)(C)C1=NC(C(F)(F)F)ON1.
What is the InChIKey of 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is FXPPEAXUUPJGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-6(2,3)4-11-5(13-12-4)7(8,9)10/h5H,1-3H3,(H,11,12).
What are the key properties of 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole?
3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 196.17 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 170288203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).