2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid

C11H9FN2O4 — CID 61312886

IUPAC2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H9FN2O4/c12-8-3-1-7(2-4-8)11-13-9(18-14-11)5-17-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyQSACBJAXDVYGFO-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.48
Rot. Bonds5

About 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid

2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (PubChem CID 61312886) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
PubChem CID61312886
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H9FN2O4/c12-8-3-1-7(2-4-8)11-13-9(18-14-11)5-17-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyQSACBJAXDVYGFO-UHFFFAOYSA-N
XLogP1.48
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (CID 61312886) is 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is O=C(O)COCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The InChIKey is QSACBJAXDVYGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c12-8-3-1-7(2-4-8)11-13-9(18-14-11)5-17-6-10(15)16/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid has a molecular weight of 252.20 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 61312886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).