4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one

C7H8F3NO2 — CID 18680183

IUPAC4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one
SMILESCCC1(C)N=C(C(F)(F)F)OC1=O
InChIInChI=1S/C7H8F3NO2/c1-3-6(2)5(12)13-4(11-6)7(8,9)10/h3H2,1-2H3
InChIKeyKFPASHVPKXEYBE-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.67
Rot. Bonds1

About 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one

4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one (PubChem CID 18680183) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one
PubChem CID18680183
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one
SMILESCCC1(C)N=C(C(F)(F)F)OC1=O
InChIInChI=1S/C7H8F3NO2/c1-3-6(2)5(12)13-4(11-6)7(8,9)10/h3H2,1-2H3
InChIKeyKFPASHVPKXEYBE-UHFFFAOYSA-N
XLogP1.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
The IUPAC name of 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one (CID 18680183) is 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one is CCC1(C)N=C(C(F)(F)F)OC1=O.
What is the InChIKey of 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
The InChIKey is KFPASHVPKXEYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-3-6(2)5(12)13-4(11-6)7(8,9)10/h3H2,1-2H3.
What are the key properties of 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one?
4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one has a molecular weight of 195.14 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one is sourced from PubChem (CID 18680183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).