2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide

C8H9F3N2O2 — CID 67953233

IUPAC2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C8H9F3N2O2/c1-4(2)7(14)12-6-3-5(13-15-6)8(9,10)11/h3-4H,1-2H3,(H,12,14)
InChIKeyABLJHVYLPHQRTQ-UHFFFAOYSA-N
MW222.17 g/mol
LogP2.29
Rot. Bonds2

About 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide

2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide (PubChem CID 67953233) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide
PubChem CID67953233
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C8H9F3N2O2/c1-4(2)7(14)12-6-3-5(13-15-6)8(9,10)11/h3-4H,1-2H3,(H,12,14)
InChIKeyABLJHVYLPHQRTQ-UHFFFAOYSA-N
XLogP2.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide (CID 67953233) is 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide is CC(C)C(=O)Nc1cc(C(F)(F)F)no1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is ABLJHVYLPHQRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-4(2)7(14)12-6-3-5(13-15-6)8(9,10)11/h3-4H,1-2H3,(H,12,14).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide?
2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 222.17 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 67953233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).