5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid

C10H5F2NO3 — CID 112706804

IUPAC5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1c(F)cccc1F
InChIInChI=1S/C10H5F2NO3/c11-6-2-1-3-7(12)8(6)9-5(10(14)15)4-13-16-9/h1-4H,(H,14,15)
InChIKeyBUKLVBORSMLMBG-UHFFFAOYSA-N
MW225.15 g/mol
LogP2.32
Rot. Bonds2

About 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid

5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 112706804) has the molecular formula C10H5F2NO3 and a molecular weight of 225.15 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID112706804
Molecular FormulaC10H5F2NO3
Molecular Weight225.15 g/mol
Exact Mass225.02
IUPAC Name5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1c(F)cccc1F
InChIInChI=1S/C10H5F2NO3/c11-6-2-1-3-7(12)8(6)9-5(10(14)15)4-13-16-9/h1-4H,(H,14,15)
InChIKeyBUKLVBORSMLMBG-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

5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986361
3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 67086588
5-[(3-fluoro-2-methylanilino)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753499
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 131572455
5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 115109089
5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986177
5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
CID 150308140
5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
CID 75356057
(2-fluorophenyl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82282946
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 71695554
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 131400101
5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82291793

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid (CID 112706804) is 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1-c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is BUKLVBORSMLMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3/c11-6-2-1-3-7(12)8(6)9-5(10(14)15)4-13-16-9/h1-4H,(H,14,15).
What are the key properties of 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid?
5-(2,6-difluorophenyl)-1,2-oxazole-4-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 5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112706804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).