[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol

C5H4F3NO2 — CID 84652557

IUPAC[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)4-9-3(1-10)2-11-4/h2,10H,1H2
InChIKeyMHVDDMIIYSKFOU-UHFFFAOYSA-N
MW167.09 g/mol
LogP1.19
Rot. Bonds1

About [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol

[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol (PubChem CID 84652557) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol
PubChem CID84652557
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)4-9-3(1-10)2-11-4/h2,10H,1H2
InChIKeyMHVDDMIIYSKFOU-UHFFFAOYSA-N
XLogP1.19
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol (CID 84652557) is [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol is OCc1coc(C(F)(F)F)n1.
What is the InChIKey of [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is MHVDDMIIYSKFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c6-5(7,8)4-9-3(1-10)2-11-4/h2,10H,1H2.
What are the key properties of [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol?
[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 167.09 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 84652557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).