2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide

C6H5F3N2O2 — CID 79487023

IUPAC2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESO=C(NCc1ccon1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5(12)10-3-4-1-2-13-11-4/h1-2H,3H2,(H,10,12)
InChIKeyRRLSGNOGFBQELT-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.85
Rot. Bonds2

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

2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 79487023) 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-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID79487023
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESO=C(NCc1ccon1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)5(12)10-3-4-1-2-13-11-4/h1-2H,3H2,(H,10,12)
InChIKeyRRLSGNOGFBQELT-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

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Related Compounds

1,2-Oxazol-3-ylmethanamine
CID 15079262
Methyl(1,2-oxazol-3-ylmethyl)amine
CID 23006272
1,2-Oxazol-3-ylmethanamine hydrochloride
CID 44607651
1-(1,2-Oxazol-3-ylmethyl)piperazine
CID 4914503
N-(2,2,2-Trifluoroethyl)-1,2-Oxazole-3-Carboxamide
CID 117587701
N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine
CID 71858837
N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine
CID 71973879
1-((1,2-Oxazol-3-yl)methyl)piperazine dihydrochloride
CID 165981583
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 71865270
1-(1,2-oxazol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988714
N~1~-(tert-butyl)-N~3~-(isoxazol-3-ylmethyl)-N~3~-methyl-beta-alaninamide
CID 91831466
N-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 117970054

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 79487023) is 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide is O=C(NCc1ccon1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is RRLSGNOGFBQELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)5(12)10-3-4-1-2-13-11-4/h1-2H,3H2,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)acetamide?
2,2,2-trifluoro-N-(1,2-oxazol-3-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-3-ylmethyl)acetamide is sourced from PubChem (CID 79487023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).