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

C13H12FNO3 — CID 104842478

IUPAC4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(C)cc2F)oc1C(=O)O
InChIInChI=1S/C13H12FNO3/c1-3-10-11(13(16)17)18-12(15-10)8-5-4-7(2)6-9(8)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyQZEAVWDNTZJZEX-UHFFFAOYSA-N
MW249.24 g/mol
LogP3.05
Rot. Bonds3

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

4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 104842478) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
PubChem CID104842478
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(C)cc2F)oc1C(=O)O
InChIInChI=1S/C13H12FNO3/c1-3-10-11(13(16)17)18-12(15-10)8-5-4-7(2)6-9(8)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyQZEAVWDNTZJZEX-UHFFFAOYSA-N
XLogP3.05
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459766
2-(2-chloro-3-fluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459765
2-(2,5-dimethylfuran-3-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842341
2-(4,5-difluoro-2-nitrophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842474
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
2-(4-bromo-2-methoxyphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842557
4-ethyl-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842369
2-(5-bromo-2-chlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459743
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842363
2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842536
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
2-(4-bromo-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842561

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid (CID 104842478) is 4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid is CCc1nc(-c2ccc(C)cc2F)oc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is QZEAVWDNTZJZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-3-10-11(13(16)17)18-12(15-10)8-5-4-7(2)6-9(8)14/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).