2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid

C7H8FNO3 — CID 84766371

IUPAC2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(CF)o1
InChIInChI=1S/C7H8FNO3/c1-4(7(10)11)5-3-9-6(2-8)12-5/h3-4H,2H2,1H3,(H,10,11)
InChIKeyKJLDWTKVITUYIA-UHFFFAOYSA-N
MW173.14 g/mol
LogP1.33
Rot. Bonds3

About 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid

2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid (PubChem CID 84766371) has the molecular formula C7H8FNO3 and a molecular weight of 173.14 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid
PubChem CID84766371
Molecular FormulaC7H8FNO3
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(CF)o1
InChIInChI=1S/C7H8FNO3/c1-4(7(10)11)5-3-9-6(2-8)12-5/h3-4H,2H2,1H3,(H,10,11)
InChIKeyKJLDWTKVITUYIA-UHFFFAOYSA-N
XLogP1.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid (CID 84766371) is 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid is CC(C(=O)O)c1cnc(CF)o1.
What is the InChIKey of 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is KJLDWTKVITUYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3/c1-4(7(10)11)5-3-9-6(2-8)12-5/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid?
2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 173.14 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 84766371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).