2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide

C6H5F3N2O2 — CID 13483370

IUPAC2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide
SMILESCc1oncc1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-3-4(2-10-13-3)11-5(12)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyUHORBCRVJMCUMW-UHFFFAOYSA-N
MW194.11 g/mol
LogP1.48
Rot. Bonds1

About 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide

2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide (PubChem CID 13483370) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide
PubChem CID13483370
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide
SMILESCc1oncc1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-3-4(2-10-13-3)11-5(12)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyUHORBCRVJMCUMW-UHFFFAOYSA-N
XLogP1.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.48
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-(5-methyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide (CID 13483370) is 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide is Cc1oncc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is UHORBCRVJMCUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-3-4(2-10-13-3)11-5(12)6(7,8)9/h2H,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide?
2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 194.11 g/mol, XLogP of 1.48, 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-(5-methyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 13483370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).