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

C12H8FNO5 — CID 117416557

IUPAC3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c3c(c2)OCCO3)no1
InChIInChI=1S/C12H8FNO5/c13-7-3-6(4-9-11(7)18-2-1-17-9)8-5-10(12(15)16)19-14-8/h3-5H,1-2H2,(H,15,16)
InChIKeyWBJBOPAYRHEWIK-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.95
Rot. Bonds2

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

3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117416557) has the molecular formula C12H8FNO5 and a molecular weight of 265.20 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID117416557
Molecular FormulaC12H8FNO5
Molecular Weight265.20 g/mol
Exact Mass265.04
IUPAC Name3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c3c(c2)OCCO3)no1
InChIInChI=1S/C12H8FNO5/c13-7-3-6(4-9-11(7)18-2-1-17-9)8-5-10(12(15)16)19-14-8/h3-5H,1-2H2,(H,15,16)
InChIKeyWBJBOPAYRHEWIK-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-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117416543
3-(3-bromo-4,5-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117488801
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-(3,4-difluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349979
3-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-5-carboxylic acid
CID 117498874
3-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid
CID 117476315
3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117460495
3-(3-chloro-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 114453827
3-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117475787
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
CID 59438307
3-(2,3,5-trifluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136963362
3-(7-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-5-carboxylic acid
CID 136931972

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid (CID 117416557) is 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(F)c3c(c2)OCCO3)no1.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is WBJBOPAYRHEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO5/c13-7-3-6(4-9-11(7)18-2-1-17-9)8-5-10(12(15)16)19-14-8/h3-5H,1-2H2,(H,15,16).
What are the key properties of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid?
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-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 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117416557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).