5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

C11H8FNO4 — CID 61397021

IUPAC5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C11H8FNO4/c12-7-2-1-3-8(4-7)16-6-9-5-10(11(14)15)13-17-9/h1-5H,6H2,(H,14,15)
InChIKeyPHJIXTADOWRNIB-UHFFFAOYSA-N
MW237.19 g/mol
LogP2.09
Rot. Bonds4

About 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397021) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397021
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C11H8FNO4/c12-7-2-1-3-8(4-7)16-6-9-5-10(11(14)15)13-17-9/h1-5H,6H2,(H,14,15)
InChIKeyPHJIXTADOWRNIB-UHFFFAOYSA-N
XLogP2.09
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid (CID 61397021) is 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COc2cccc(F)c2)on1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is PHJIXTADOWRNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-7-2-1-3-8(4-7)16-6-9-5-10(11(14)15)13-17-9/h1-5H,6H2,(H,14,15).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).