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

C9H12F3N3O3 — CID 146082827

IUPAC2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)c1noc(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O3/c1-5(2)7-14-18-8(17)15(7)3-6(16)13-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,16)
InChIKeyQZLZIJHUNJSGGN-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.64
Rot. Bonds4

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

2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 146082827) has the molecular formula C9H12F3N3O3 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID146082827
Molecular FormulaC9H12F3N3O3
Molecular Weight267.21 g/mol
Exact Mass267.08
IUPAC Name2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)c1noc(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O3/c1-5(2)7-14-18-8(17)15(7)3-6(16)13-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,16)
InChIKeyQZLZIJHUNJSGGN-UHFFFAOYSA-N
XLogP0.64
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
CID 103369616
N,N-diethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
CID 103370128
N-ethyl-N-methyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
CID 105969134
N-ethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
CID 113807981
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 146082744
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-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082823
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-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 146082827) is 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)c1noc(=O)n1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QZLZIJHUNJSGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3/c1-5(2)7-14-18-8(17)15(7)3-6(16)13-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 267.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 146082827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).