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

C15H9FN2O3 — CID 24747214

IUPAC4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H9FN2O3/c16-12-7-5-10(6-8-12)14-17-13(18-21-14)9-1-3-11(4-2-9)15(19)20/h1-8H,(H,19,20)
InChIKeyWCGDWZAYLWCDAO-UHFFFAOYSA-N
MW284.25 g/mol
LogP3.24
Rot. Bonds3

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

4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 24747214) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID24747214
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H9FN2O3/c16-12-7-5-10(6-8-12)14-17-13(18-21-14)9-1-3-11(4-2-9)15(19)20/h1-8H,(H,19,20)
InChIKeyWCGDWZAYLWCDAO-UHFFFAOYSA-N
XLogP3.24
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CID 24747214) is 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is WCGDWZAYLWCDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-12-7-5-10(6-8-12)14-17-13(18-21-14)9-1-3-11(4-2-9)15(19)20/h1-8H,(H,19,20).
What are the key properties of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid has a molecular weight of 284.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 24747214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).