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

C12H9F2NO3 — CID 117385140

IUPAC5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCc1cc(-c2cc(C(=O)O)no2)c(F)cc1F
InChIInChI=1S/C12H9F2NO3/c1-2-6-3-7(9(14)4-8(6)13)11-5-10(12(16)17)15-18-11/h3-5H,2H2,1H3,(H,16,17)
InChIKeyBJFINNPUICOXFO-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.88
Rot. Bonds3

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

5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117385140) has the molecular formula C12H9F2NO3 and a molecular weight of 253.20 g/mol. Its IUPAC name is 5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117385140
Molecular FormulaC12H9F2NO3
Molecular Weight253.20 g/mol
Exact Mass253.06
IUPAC Name5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCc1cc(-c2cc(C(=O)O)no2)c(F)cc1F
InChIInChI=1S/C12H9F2NO3/c1-2-6-3-7(9(14)4-8(6)13)11-5-10(12(16)17)15-18-11/h3-5H,2H2,1H3,(H,16,17)
InChIKeyBJFINNPUICOXFO-UHFFFAOYSA-N
XLogP2.88
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117404267
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117367183
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-(2-amino-4-fluoro-3-prop-1-en-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 142107606
5-ethyl-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 114058122
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(4,5-dihydroxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998049

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid (CID 117385140) is 5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid is CCc1cc(-c2cc(C(=O)O)no2)c(F)cc1F.
What is the InChIKey of 5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is BJFINNPUICOXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3/c1-2-6-3-7(9(14)4-8(6)13)11-5-10(12(16)17)15-18-11/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of 5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid?
5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 253.20 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117385140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).