[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate

C15H9FN2O3 — CID 174639144

IUPAC[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate
SMILESO=C(Oc1noc(-c2ccccc2F)n1)c1ccccc1
InChIInChI=1S/C15H9FN2O3/c16-12-9-5-4-8-11(12)13-17-15(18-21-13)20-14(19)10-6-2-1-3-7-10/h1-9H
InChIKeyCIIWYLUXCLFHND-UHFFFAOYSA-N
MW284.25 g/mol
LogP3.09
Rot. Bonds3

About [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate

[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate (PubChem CID 174639144) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate
PubChem CID174639144
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate
SMILESO=C(Oc1noc(-c2ccccc2F)n1)c1ccccc1
InChIInChI=1S/C15H9FN2O3/c16-12-9-5-4-8-11(12)13-17-15(18-21-13)20-14(19)10-6-2-1-3-7-10/h1-9H
InChIKeyCIIWYLUXCLFHND-UHFFFAOYSA-N
XLogP3.09
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate?
The IUPAC name of [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate (CID 174639144) is [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate.
What is the SMILES notation for [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate?
The canonical SMILES for [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate is O=C(Oc1noc(-c2ccccc2F)n1)c1ccccc1.
What is the InChIKey of [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate?
The InChIKey is CIIWYLUXCLFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-12-9-5-4-8-11(12)13-17-15(18-21-13)20-14(19)10-6-2-1-3-7-10/h1-9H.
What are the key properties of [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate?
[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate has a molecular weight of 284.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate is sourced from PubChem (CID 174639144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).