2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide

C5H4F3N3O2 — CID 106409871

IUPAC2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESO=C(NCc1ncon1)C(F)(F)F
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)4(12)9-1-3-10-2-13-11-3/h2H,1H2,(H,9,12)
InChIKeyCENNZHHPANOGNA-UHFFFAOYSA-N
MW195.10 g/mol
LogP0.25
Rot. Bonds2

About 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide

2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (PubChem CID 106409871) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
PubChem CID106409871
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
SMILESO=C(NCc1ncon1)C(F)(F)F
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)4(12)9-1-3-10-2-13-11-3/h2H,1H2,(H,9,12)
InChIKeyCENNZHHPANOGNA-UHFFFAOYSA-N
XLogP0.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 50.25
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-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide (CID 106409871) is 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide is O=C(NCc1ncon1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
The InChIKey is CENNZHHPANOGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c6-5(7,8)4(12)9-1-3-10-2-13-11-3/h2H,1H2,(H,9,12).
What are the key properties of 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide?
2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide has a molecular weight of 195.10 g/mol, XLogP of 0.25, 2 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-(1,2,4-oxadiazol-3-ylmethyl)acetamide is sourced from PubChem (CID 106409871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).