5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid

C12H8FNO5 — CID 117416542

IUPAC5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2F)OCCO3)on1
InChIInChI=1S/C12H8FNO5/c13-10-6(9-5-7(12(15)16)14-19-9)1-2-8-11(10)18-4-3-17-8/h1-2,5H,3-4H2,(H,15,16)
InChIKeyQBLHBBLHMDMYDE-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.95
Rot. Bonds2

About 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid

5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117416542) has the molecular formula C12H8FNO5 and a molecular weight of 265.20 g/mol. Its IUPAC name is 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117416542
Molecular FormulaC12H8FNO5
Molecular Weight265.20 g/mol
Exact Mass265.04
IUPAC Name5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2F)OCCO3)on1
InChIInChI=1S/C12H8FNO5/c13-10-6(9-5-7(12(15)16)14-19-9)1-2-8-11(10)18-4-3-17-8/h1-2,5H,3-4H2,(H,15,16)
InChIKeyQBLHBBLHMDMYDE-UHFFFAOYSA-N
XLogP1.95
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid (CID 117416542) is 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc3c(c2F)OCCO3)on1.
What is the InChIKey of 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is QBLHBBLHMDMYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO5/c13-10-6(9-5-7(12(15)16)14-19-9)1-2-8-11(10)18-4-3-17-8/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid?
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 265.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117416542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).