2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide

C6H6F3N3O2 — CID 103744050

IUPAC2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1ncno1)C(F)(F)F
InChIInChI=1S/C6H6F3N3O2/c7-6(8,9)5(13)10-2-1-4-11-3-12-14-4/h3H,1-2H2,(H,10,13)
InChIKeyFEVCGMAMEYJKTJ-UHFFFAOYSA-N
MW209.13 g/mol
LogP0.29
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 103744050) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID103744050
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Name2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1ncno1)C(F)(F)F
InChIInChI=1S/C6H6F3N3O2/c7-6(8,9)5(13)10-2-1-4-11-3-12-14-4/h3H,1-2H2,(H,10,13)
InChIKeyFEVCGMAMEYJKTJ-UHFFFAOYSA-N
XLogP0.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 145915661
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
2-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-YL]ethan-1-amine
CID 55263183
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61392906
N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61712071
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62327434
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007714
N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007972
2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 103650415
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 103733850
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 103744050) is 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide is O=C(NCCc1ncno1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is FEVCGMAMEYJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2/c7-6(8,9)5(13)10-2-1-4-11-3-12-14-4/h3H,1-2H2,(H,10,13).
What are the key properties of 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 209.13 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 103744050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).