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

C12H11FN2O4 — CID 62387404

IUPAC2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESCc1ccc(F)cc1-c1noc(COCC(=O)O)n1
InChIInChI=1S/C12H11FN2O4/c1-7-2-3-8(13)4-9(7)12-14-10(19-15-12)5-18-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyZWLLBGGBPSNXFB-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.79
Rot. Bonds5

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

2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (PubChem CID 62387404) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
PubChem CID62387404
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESCc1ccc(F)cc1-c1noc(COCC(=O)O)n1
InChIInChI=1S/C12H11FN2O4/c1-7-2-3-8(13)4-9(7)12-14-10(19-15-12)5-18-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyZWLLBGGBPSNXFB-UHFFFAOYSA-N
XLogP1.79
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (CID 62387404) is 2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is Cc1ccc(F)cc1-c1noc(COCC(=O)O)n1.
What is the InChIKey of 2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The InChIKey is ZWLLBGGBPSNXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c1-7-2-3-8(13)4-9(7)12-14-10(19-15-12)5-18-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid has a molecular weight of 266.23 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 62387404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).