2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N3O3 — CID 146082744

IUPAC2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)c1noc(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3O3/c1-9(2,3)7-15-19-8(18)16(7)4-6(17)14-5-10(11,12)13/h4-5H2,1-3H3,(H,14,17)
InChIKeyMXYRKSOOBNHFIS-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.81
Rot. Bonds3

About 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 146082744) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID146082744
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)c1noc(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3O3/c1-9(2,3)7-15-19-8(18)16(7)4-6(17)14-5-10(11,12)13/h4-5H2,1-3H3,(H,14,17)
InChIKeyMXYRKSOOBNHFIS-UHFFFAOYSA-N
XLogP0.81
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 146082827
N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide
CID 146082891
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
CID 146082711
N-butyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082714
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082763
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide
CID 154810400

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 146082744) is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)c1noc(=O)n1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MXYRKSOOBNHFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-9(2,3)7-15-19-8(18)16(7)4-6(17)14-5-10(11,12)13/h4-5H2,1-3H3,(H,14,17).
What are the key properties of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 146082744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).