[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol

C13H14F3NO2 — CID 54552970

IUPAC[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol
SMILESCC1(C)COC(c2ccc(C(F)(F)F)cc2CO)=N1
InChIInChI=1S/C13H14F3NO2/c1-12(2)7-19-11(17-12)10-4-3-9(13(14,15)16)5-8(10)6-18/h3-5,18H,6-7H2,1-2H3
InChIKeyZLESSCOVUKGLGR-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.75
Rot. Bonds2

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

[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol (PubChem CID 54552970) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol
PubChem CID54552970
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol
SMILESCC1(C)COC(c2ccc(C(F)(F)F)cc2CO)=N1
InChIInChI=1S/C13H14F3NO2/c1-12(2)7-19-11(17-12)10-4-3-9(13(14,15)16)5-8(10)6-18/h3-5,18H,6-7H2,1-2H3
InChIKeyZLESSCOVUKGLGR-UHFFFAOYSA-N
XLogP2.75
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol (CID 54552970) is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol is CC1(C)COC(c2ccc(C(F)(F)F)cc2CO)=N1.
What is the InChIKey of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZLESSCOVUKGLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-12(2)7-19-11(17-12)10-4-3-9(13(14,15)16)5-8(10)6-18/h3-5,18H,6-7H2,1-2H3.
What are the key properties of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol?
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 273.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 54552970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).