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

C12H12F3NO — CID 10263798

IUPAC4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C12H12F3NO/c1-11(2)7-17-10(16-11)8-3-5-9(6-4-8)12(13,14)15/h3-6H,7H2,1-2H3
InChIKeyYNXLTKJYQKNSKX-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.26
Rot. Bonds1

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

4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole (PubChem CID 10263798) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole
PubChem CID10263798
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C12H12F3NO/c1-11(2)7-17-10(16-11)8-3-5-9(6-4-8)12(13,14)15/h3-6H,7H2,1-2H3
InChIKeyYNXLTKJYQKNSKX-UHFFFAOYSA-N
XLogP3.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole (CID 10263798) is 4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole is CC1(C)COC(c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole?
The InChIKey is YNXLTKJYQKNSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-11(2)7-17-10(16-11)8-3-5-9(6-4-8)12(13,14)15/h3-6H,7H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole has a molecular weight of 243.23 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 10263798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).