2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

C7H8F3N3O2 — CID 103650415

IUPAC2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C(F)(F)F)no1
InChIInChI=1S/C7H8F3N3O2/c1-4-12-5(13-15-4)2-3-11-6(14)7(8,9)10/h2-3H2,1H3,(H,11,14)
InChIKeyVZHVEUQAOLPGAU-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.60
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 103650415) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID103650415
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C(F)(F)F)no1
InChIInChI=1S/C7H8F3N3O2/c1-4-12-5(13-15-4)2-3-11-6(14)7(8,9)10/h2-3H2,1H3,(H,11,14)
InChIKeyVZHVEUQAOLPGAU-UHFFFAOYSA-N
XLogP0.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 103650415) is 2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is Cc1nc(CCNC(=O)C(F)(F)F)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is VZHVEUQAOLPGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-4-12-5(13-15-4)2-3-11-6(14)7(8,9)10/h2-3H2,1H3,(H,11,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 223.15 g/mol, XLogP of 0.60, 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-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 103650415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).