2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid

C12H10FNO3 — CID 67322415

IUPAC2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNO3/c1-7(12(15)16)10-6-17-11(14-10)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyWIIGVIWWSURFIU-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.67
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid (PubChem CID 67322415) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid
PubChem CID67322415
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid
SMILESCC(C(=O)O)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNO3/c1-7(12(15)16)10-6-17-11(14-10)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyWIIGVIWWSURFIU-UHFFFAOYSA-N
XLogP2.67
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid (CID 67322415) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid is CC(C(=O)O)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid?
The InChIKey is WIIGVIWWSURFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-7(12(15)16)10-6-17-11(14-10)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16).
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid?
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid has a molecular weight of 235.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 67322415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).