5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid

C12H8F3NO5 — CID 90325843

IUPAC5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(OC(F)(F)F)cc2)on1
InChIInChI=1S/C12H8F3NO5/c13-12(14,15)20-8-3-1-7(2-4-8)19-6-9-5-10(11(17)18)16-21-9/h1-5H,6H2,(H,17,18)
InChIKeyHJOFQYOLIRICDS-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.85
Rot. Bonds5

About 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid

5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 90325843) has the molecular formula C12H8F3NO5 and a molecular weight of 303.19 g/mol. Its IUPAC name is 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID90325843
Molecular FormulaC12H8F3NO5
Molecular Weight303.19 g/mol
Exact Mass303.04
IUPAC Name5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(OC(F)(F)F)cc2)on1
InChIInChI=1S/C12H8F3NO5/c13-12(14,15)20-8-3-1-7(2-4-8)19-6-9-5-10(11(17)18)16-21-9/h1-5H,6H2,(H,17,18)
InChIKeyHJOFQYOLIRICDS-UHFFFAOYSA-N
XLogP2.85
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 102721456
5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103233523
5-[[phenyl(trifluoromethoxy)methoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 118536836
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325815
6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 148732120
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
CID 116799953

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid (CID 90325843) is 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COc2ccc(OC(F)(F)F)cc2)on1.
What is the InChIKey of 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is HJOFQYOLIRICDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO5/c13-12(14,15)20-8-3-1-7(2-4-8)19-6-9-5-10(11(17)18)16-21-9/h1-5H,6H2,(H,17,18).
What are the key properties of 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 303.19 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 90325843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).