3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane

C17H34F2N4O2 — CID 169128085

IUPAC3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane
SMILESCC.CC.CC.Cc1nc(C(C)(C)C)no1.Cc1nc(C(F)F)no1
InChIInChI=1S/C7H12N2O.C4H4F2N2O.3C2H6/c1-5-8-6(9-10-5)7(2,3)4;1-2-7-4(3(5)6)8-9-2;3*1-2/h1-4H3;3H,1H3;3*1-2H3
InChIKeyAZFLWSMZOBAVRX-UHFFFAOYSA-N
MW364.48 g/mol
LogP6.07
Rot. Bonds1

About 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane

3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane (PubChem CID 169128085) has the molecular formula C17H34F2N4O2 and a molecular weight of 364.48 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane
PubChem CID169128085
Molecular FormulaC17H34F2N4O2
Molecular Weight364.48 g/mol
Exact Mass364.26
IUPAC Name3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane
SMILESCC.CC.CC.Cc1nc(C(C)(C)C)no1.Cc1nc(C(F)F)no1
InChIInChI=1S/C7H12N2O.C4H4F2N2O.3C2H6/c1-5-8-6(9-10-5)7(2,3)4;1-2-7-4(3(5)6)8-9-2;3*1-2/h1-4H3;3H,1H3;3*1-2H3
InChIKeyAZFLWSMZOBAVRX-UHFFFAOYSA-N
XLogP6.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.48
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane?
The IUPAC name of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane (CID 169128085) is 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane.
What is the SMILES notation for 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane?
The canonical SMILES for 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane is CC.CC.CC.Cc1nc(C(C)(C)C)no1.Cc1nc(C(F)F)no1.
What is the InChIKey of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane?
The InChIKey is AZFLWSMZOBAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C4H4F2N2O.3C2H6/c1-5-8-6(9-10-5)7(2,3)4;1-2-7-4(3(5)6)8-9-2;3*1-2/h1-4H3;3H,1H3;3*1-2H3.
What are the key properties of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane?
3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane has a molecular weight of 364.48 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;ethane is sourced from PubChem (CID 169128085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).