3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid

C10H5F2NO3 — CID 29078560

IUPAC3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C10H5F2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15)
InChIKeyQXPMXGWESGSWFQ-UHFFFAOYSA-N
MW225.15 g/mol
LogP2.32
Rot. Bonds2

About 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid

3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 29078560) has the molecular formula C10H5F2NO3 and a molecular weight of 225.15 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID29078560
Molecular FormulaC10H5F2NO3
Molecular Weight225.15 g/mol
Exact Mass225.02
IUPAC Name3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C10H5F2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15)
InChIKeyQXPMXGWESGSWFQ-UHFFFAOYSA-N
XLogP2.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375400
3-(3-bromo-4,5-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117488801
3-(3,4-difluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349979
3-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489575
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-(3-chloro-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 114453827
3-(3-methyl-4-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375835
3-(3-bromo-6-fluoro-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136966422
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117385137
3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117460495
3-[4-(3-fluoropropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117375396
3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115527352

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid (CID 29078560) is 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is QXPMXGWESGSWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15).
What are the key properties of 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid?
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 225.15 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 29078560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).