4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one

C11H9F3N2O2 — CID 1299899

IUPAC4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2cc(C(F)(F)F)no2)c(=O)[nH]1
InChIInChI=1S/C11H9F3N2O2/c1-5-3-6(2)15-10(17)9(5)7-4-8(16-18-7)11(12,13)14/h3-4H,1-2H3,(H,15,17)
InChIKeyGDFROHHQWZKCGS-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.67
Rot. Bonds1

About 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one

4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one (PubChem CID 1299899) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
PubChem CID1299899
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2cc(C(F)(F)F)no2)c(=O)[nH]1
InChIInChI=1S/C11H9F3N2O2/c1-5-3-6(2)15-10(17)9(5)7-4-8(16-18-7)11(12,13)14/h3-4H,1-2H3,(H,15,17)
InChIKeyGDFROHHQWZKCGS-UHFFFAOYSA-N
XLogP2.67
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one (CID 1299899) is 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one is Cc1cc(C)c(-c2cc(C(F)(F)F)no2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
The InChIKey is GDFROHHQWZKCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-5-3-6(2)15-10(17)9(5)7-4-8(16-18-7)11(12,13)14/h3-4H,1-2H3,(H,15,17).
What are the key properties of 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one?
4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one has a molecular weight of 258.20 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 1299899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).