2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide

C5H3F3N2O2 — CID 63374587

IUPAC2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide
SMILESO=C(Nc1cnoc1)C(F)(F)F
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)4(11)10-3-1-9-12-2-3/h1-2H,(H,10,11)
InChIKeyASZDMUGBWQEDIA-UHFFFAOYSA-N
MW180.09 g/mol
LogP1.18
Rot. Bonds1

About 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide

2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide (PubChem CID 63374587) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide
PubChem CID63374587
Molecular FormulaC5H3F3N2O2
Molecular Weight180.09 g/mol
Exact Mass180.01
IUPAC Name2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide
SMILESO=C(Nc1cnoc1)C(F)(F)F
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)4(11)10-3-1-9-12-2-3/h1-2H,(H,10,11)
InChIKeyASZDMUGBWQEDIA-UHFFFAOYSA-N
XLogP1.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide (CID 63374587) is 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide is O=C(Nc1cnoc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide?
The InChIKey is ASZDMUGBWQEDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-5(7,8)4(11)10-3-1-9-12-2-3/h1-2H,(H,10,11).
What are the key properties of 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide?
2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide has a molecular weight of 180.09 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 63374587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).