3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid

C6H6FNO4 — CID 45091216

IUPAC3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(OCCF)no1
InChIInChI=1S/C6H6FNO4/c7-1-2-11-5-3-4(6(9)10)12-8-5/h3H,1-2H2,(H,9,10)
InChIKeyVFHYHBZLYHQLQI-UHFFFAOYSA-N
MW175.11 g/mol
LogP0.72
Rot. Bonds4

About 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid

3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid (PubChem CID 45091216) has the molecular formula C6H6FNO4 and a molecular weight of 175.11 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid
PubChem CID45091216
Molecular FormulaC6H6FNO4
Molecular Weight175.11 g/mol
Exact Mass175.03
IUPAC Name3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(OCCF)no1
InChIInChI=1S/C6H6FNO4/c7-1-2-11-5-3-4(6(9)10)12-8-5/h3H,1-2H2,(H,9,10)
InChIKeyVFHYHBZLYHQLQI-UHFFFAOYSA-N
XLogP0.72
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-1,2-oxazole-5-carboxylic acid
CID 327717
2-[(5-Methyl-1,2-oxazol-3-yl)oxy]acetic acid
CID 4962137
3-Ethoxy-1,2-oxazole-5-carboxylic acid
CID 15007418
Methyl 3-prop-2-ynoxy-1,2-oxazole-5-carboxylate
CID 140030818
3-(2,2,2-Trifluoroethoxy)isoxazole-5-carboxylic acid
CID 168168802
5-Isoxazolecarboxylic acid, 3-methoxy-, methyl ester
CID 639214
Methyl 3-(allyloxy)isoxazole-5-carboxylate
CID 639217
[3-(1,1,2,2-Tetrafluoroethoxy)isoxazol-5-yl]methanol
CID 22261992
Methyl 3-(1,1,2,2-tetrafluoroethoxy)-5-isoxazole carboxylate
CID 22262066
Methyl 3-(3,3-difluoro-2-hydroxypropoxy)isoxazole-5-carboxylate
CID 67777697
3-(3-Fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid
CID 67778359
Methyl 3-(3-fluoro-2-hydroxypropoxy)isoxazole-5-carboxylate
CID 67778586

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid (CID 45091216) is 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(OCCF)no1.
What is the InChIKey of 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid?
The InChIKey is VFHYHBZLYHQLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO4/c7-1-2-11-5-3-4(6(9)10)12-8-5/h3H,1-2H2,(H,9,10).
What are the key properties of 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid?
3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid has a molecular weight of 175.11 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 45091216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).