3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid

C7H8FNO5 — CID 67778359

IUPAC3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(OCC(O)CF)no1
InChIInChI=1S/C7H8FNO5/c8-2-4(10)3-13-6-1-5(7(11)12)14-9-6/h1,4,10H,2-3H2,(H,11,12)
InChIKeyCHOATBPEUVGMDY-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.08
Rot. Bonds5

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

3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid (PubChem CID 67778359) has the molecular formula C7H8FNO5 and a molecular weight of 205.14 g/mol. Its IUPAC name is 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid
PubChem CID67778359
Molecular FormulaC7H8FNO5
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(OCC(O)CF)no1
InChIInChI=1S/C7H8FNO5/c8-2-4(10)3-13-6-1-5(7(11)12)14-9-6/h1,4,10H,2-3H2,(H,11,12)
InChIKeyCHOATBPEUVGMDY-UHFFFAOYSA-N
XLogP0.08
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid (CID 67778359) is 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(OCC(O)CF)no1.
What is the InChIKey of 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid?
The InChIKey is CHOATBPEUVGMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO5/c8-2-4(10)3-13-6-1-5(7(11)12)14-9-6/h1,4,10H,2-3H2,(H,11,12).
What are the key properties of 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid?
3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid has a molecular weight of 205.14 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 67778359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).