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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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).