5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid

C13H12FNO4 — CID 82486561

IUPAC5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCOc1ccc(-c2onc(C)c2C(=O)O)cc1F
InChIInChI=1S/C13H12FNO4/c1-3-18-10-5-4-8(6-9(10)14)12-11(13(16)17)7(2)15-19-12/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyXJVYWJIKJZKMOQ-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.89
Rot. Bonds4

About 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid

5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 82486561) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID82486561
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCOc1ccc(-c2onc(C)c2C(=O)O)cc1F
InChIInChI=1S/C13H12FNO4/c1-3-18-10-5-4-8(6-9(10)14)12-11(13(16)17)7(2)15-19-12/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyXJVYWJIKJZKMOQ-UHFFFAOYSA-N
XLogP2.89
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82477044
4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 95478845
4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82486560
2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 82304034
4-amino-2-(4-ethoxy-3-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82303643
5-(4-acetylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 175142552
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
2-[4-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]acetic acid
CID 82303646
5-[7-(carboxymethyl)-9,10-dihydrophenanthren-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 71264969
5-[7-(1-formyloxycyclopropyl)-9,10-dihydrophenanthren-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 89449270
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid (CID 82486561) is 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid is CCOc1ccc(-c2onc(C)c2C(=O)O)cc1F.
What is the InChIKey of 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is XJVYWJIKJZKMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-3-18-10-5-4-8(6-9(10)14)12-11(13(16)17)7(2)15-19-12/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 265.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82486561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).