5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid

C12H8FNO5 — CID 117416541

IUPAC5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c3c2OCCO3)on1
InChIInChI=1S/C12H8FNO5/c13-7-2-1-6(10-11(7)18-4-3-17-10)9-5-8(12(15)16)14-19-9/h1-2,5H,3-4H2,(H,15,16)
InChIKeyYWFXQVBQGIETOW-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.95
Rot. Bonds2

About 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid

5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117416541) 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-8-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117416541
Molecular FormulaC12H8FNO5
Molecular Weight265.20 g/mol
Exact Mass265.04
IUPAC Name5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c3c2OCCO3)on1
InChIInChI=1S/C12H8FNO5/c13-7-2-1-6(10-11(7)18-4-3-17-10)9-5-8(12(15)16)14-19-9/h1-2,5H,3-4H2,(H,15,16)
InChIKeyYWFXQVBQGIETOW-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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Related Compounds

5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117416543
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(4-chloro-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117422475
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755
5-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117412139
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 142107606
5-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,2-oxazole-3-carboxylic acid
CID 117443796

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid (CID 117416541) is 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(F)c3c2OCCO3)on1.
What is the InChIKey of 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is YWFXQVBQGIETOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO5/c13-7-2-1-6(10-11(7)18-4-3-17-10)9-5-8(12(15)16)14-19-9/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid?
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-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-8-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117416541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).