4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole

C11H11F3N2O — CID 162396709

IUPAC4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(C(F)(F)F)cn2)=N1
InChIInChI=1S/C11H11F3N2O/c1-10(2)6-17-9(16-10)8-4-3-7(5-15-8)11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyGLRRFOUNOZBVRI-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.66
Rot. Bonds1

About 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole

4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole (PubChem CID 162396709) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole
PubChem CID162396709
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(C(F)(F)F)cn2)=N1
InChIInChI=1S/C11H11F3N2O/c1-10(2)6-17-9(16-10)8-4-3-7(5-15-8)11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyGLRRFOUNOZBVRI-UHFFFAOYSA-N
XLogP2.66
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole (CID 162396709) is 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole is CC1(C)COC(c2ccc(C(F)(F)F)cn2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole?
The InChIKey is GLRRFOUNOZBVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-10(2)6-17-9(16-10)8-4-3-7(5-15-8)11(12,13)14/h3-5H,6H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole has a molecular weight of 244.22 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-5H-1,3-oxazole is sourced from PubChem (CID 162396709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).