5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid

C12H8FNO5 — CID 117416550

IUPAC5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3c(cc2F)OCCO3)on1
InChIInChI=1S/C12H8FNO5/c13-7-4-11-10(17-1-2-18-11)3-6(7)9-5-8(12(15)16)14-19-9/h3-5H,1-2H2,(H,15,16)
InChIKeyYAEBUCDNWPPSET-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.95
Rot. Bonds2

About 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid

5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117416550) has the molecular formula C12H8FNO5 and a molecular weight of 265.20 g/mol. Its IUPAC name is 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117416550
Molecular FormulaC12H8FNO5
Molecular Weight265.20 g/mol
Exact Mass265.04
IUPAC Name5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc3c(cc2F)OCCO3)on1
InChIInChI=1S/C12H8FNO5/c13-7-4-11-10(17-1-2-18-11)3-6(7)9-5-8(12(15)16)14-19-9/h3-5H,1-2H2,(H,15,16)
InChIKeyYAEBUCDNWPPSET-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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid (CID 117416550) is 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cc3c(cc2F)OCCO3)on1.
What is the InChIKey of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is YAEBUCDNWPPSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO5/c13-7-4-11-10(17-1-2-18-11)3-6(7)9-5-8(12(15)16)14-19-9/h3-5H,1-2H2,(H,15,16).
What are the key properties of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid?
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-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-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117416550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).