2-(trifluoromethyl)-1,3-oxazol-4-ol

C4H2F3NO2 — CID 90687808

IUPAC2-(trifluoromethyl)-1,3-oxazol-4-ol
SMILESOc1coc(C(F)(F)F)n1
InChIInChI=1S/C4H2F3NO2/c5-4(6,7)3-8-2(9)1-10-3/h1,9H
InChIKeyUHQFMYHJFJUODS-UHFFFAOYSA-N
MW153.06 g/mol
LogP1.40
Rot. Bonds

About 2-(trifluoromethyl)-1,3-oxazol-4-ol

2-(trifluoromethyl)-1,3-oxazol-4-ol (PubChem CID 90687808) has the molecular formula C4H2F3NO2 and a molecular weight of 153.06 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-oxazol-4-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-oxazol-4-ol
PubChem CID90687808
Molecular FormulaC4H2F3NO2
Molecular Weight153.06 g/mol
Exact Mass153.00
IUPAC Name2-(trifluoromethyl)-1,3-oxazol-4-ol
SMILESOc1coc(C(F)(F)F)n1
InChIInChI=1S/C4H2F3NO2/c5-4(6,7)3-8-2(9)1-10-3/h1,9H
InChIKeyUHQFMYHJFJUODS-UHFFFAOYSA-N
XLogP1.40
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.06
LogP ≤ 51.40
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-ol?
The IUPAC name of 2-(trifluoromethyl)-1,3-oxazol-4-ol (CID 90687808) is 2-(trifluoromethyl)-1,3-oxazol-4-ol.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-oxazol-4-ol?
The canonical SMILES for 2-(trifluoromethyl)-1,3-oxazol-4-ol is Oc1coc(C(F)(F)F)n1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-oxazol-4-ol?
The InChIKey is UHQFMYHJFJUODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NO2/c5-4(6,7)3-8-2(9)1-10-3/h1,9H.
What are the key properties of 2-(trifluoromethyl)-1,3-oxazol-4-ol?
2-(trifluoromethyl)-1,3-oxazol-4-ol has a molecular weight of 153.06 g/mol, XLogP of 1.40, 0 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-ol is sourced from PubChem (CID 90687808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).