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

C13H12FNO3 — CID 82362385

IUPAC4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCc1c(-c2ccc(F)c(C)c2)noc1C(=O)O
InChIInChI=1S/C13H12FNO3/c1-3-9-11(15-18-12(9)13(16)17)8-4-5-10(14)7(2)6-8/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyOHMYERLZQQHDKG-UHFFFAOYSA-N
MW249.24 g/mol
LogP3.05
Rot. Bonds3

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

4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 82362385) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID82362385
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCc1c(-c2ccc(F)c(C)c2)noc1C(=O)O
InChIInChI=1S/C13H12FNO3/c1-3-9-11(15-18-12(9)13(16)17)8-4-5-10(14)7(2)6-8/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyOHMYERLZQQHDKG-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

[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 95993414
4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82476085
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383042
3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 63214178
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
5-chloro-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82298915
ethyl 5-(4-fluoro-3-methylphenyl)-2H-triazole-4-carboxylate
CID 169399097
4-(4-fluoro-3-methylphenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 116824076
1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid
CID 122568449
3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
CID 82131272
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 116864179

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid (CID 82362385) is 4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid is CCc1c(-c2ccc(F)c(C)c2)noc1C(=O)O.
What is the InChIKey of 4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is OHMYERLZQQHDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-3-9-11(15-18-12(9)13(16)17)8-4-5-10(14)7(2)6-8/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid?
4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-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-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82362385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).