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

C11H8FNO4 — CID 105498756

IUPAC4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid
SMILESCOc1onc(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H8FNO4/c1-16-11-8(9(10(14)15)13-17-11)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,14,15)
InChIKeyBRNCTKUISTYVBA-UHFFFAOYSA-N
MW237.19 g/mol
LogP2.19
Rot. Bonds3

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

4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid (PubChem CID 105498756) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid
PubChem CID105498756
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid
SMILESCOc1onc(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H8FNO4/c1-16-11-8(9(10(14)15)13-17-11)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,14,15)
InChIKeyBRNCTKUISTYVBA-UHFFFAOYSA-N
XLogP2.19
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82476085
4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid
CID 105464783
4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82389839
4-(4-sulfophenyl)-1,2-oxazole-3,5-dicarboxylic acid
CID 121222789
4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82486560
2-acetyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 90337835
5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazole-4-carboxylic acid
CID 18700464
3-chloro-5-(4-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 105422177
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone
CID 154721844
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313893

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid (CID 105498756) is 4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid is COc1onc(C(=O)O)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid?
The InChIKey is BRNCTKUISTYVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c1-16-11-8(9(10(14)15)13-17-11)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,14,15).
What are the key properties of 4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid?
4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 105498756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).