2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide

C6H5F3N2O2 — CID 104600349

IUPAC2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ccno1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5(12)10-3-4-1-2-11-13-4/h1-2H,3H2,(H,10,12)
InChIKeyDAVLSIFABVFQFR-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.85
Rot. Bonds2

About 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide

2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide (PubChem CID 104600349) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
PubChem CID104600349
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ccno1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5(12)10-3-4-1-2-11-13-4/h1-2H,3H2,(H,10,12)
InChIKeyDAVLSIFABVFQFR-UHFFFAOYSA-N
XLogP0.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986555
N-(2-aminoethyl)-1,2-oxazole-5-carboxamide
CID 60966581
N-(trifluoromethyl)-1,2-oxazole-5-carboxamide
CID 70653901
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
(3S)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903173
(3R)-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903174
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864934
1-(1,2-Oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103951484
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104600393
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide (CID 104600349) is 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide is O=C(NCc1ccno1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide?
The InChIKey is DAVLSIFABVFQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)5(12)10-3-4-1-2-11-13-4/h1-2H,3H2,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide?
2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide has a molecular weight of 194.11 g/mol, XLogP of 0.85, 2 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-5-ylmethyl)acetamide is sourced from PubChem (CID 104600349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).