[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol

C11H8F3NO3 — CID 22220981

IUPAC[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)17-9-3-1-7(2-4-9)10-8(6-16)5-15-18-10/h1-5,16H,6H2
InChIKeyHTZJDRPJKIZIFZ-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.73
Rot. Bonds3

About [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol

[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol (PubChem CID 22220981) has the molecular formula C11H8F3NO3 and a molecular weight of 259.18 g/mol. Its IUPAC name is [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol
PubChem CID22220981
Molecular FormulaC11H8F3NO3
Molecular Weight259.18 g/mol
Exact Mass259.05
IUPAC Name[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)17-9-3-1-7(2-4-9)10-8(6-16)5-15-18-10/h1-5,16H,6H2
InChIKeyHTZJDRPJKIZIFZ-UHFFFAOYSA-N
XLogP2.73
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol (CID 22220981) is [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol is OCc1cnoc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol?
The InChIKey is HTZJDRPJKIZIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3/c12-11(13,14)17-9-3-1-7(2-4-9)10-8(6-16)5-15-18-10/h1-5,16H,6H2.
What are the key properties of [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol?
[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol has a molecular weight of 259.18 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 22220981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).