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

C15H9FN2O3 — CID 11818444

IUPAC3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C15H9FN2O3/c16-12-6-4-9(5-7-12)14-17-13(18-21-14)10-2-1-3-11(8-10)15(19)20/h1-8H,(H,19,20)
InChIKeyFRDCXPNCKJFKHZ-UHFFFAOYSA-N
MW284.25 g/mol
LogP3.24
Rot. Bonds3

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

3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 11818444) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID11818444
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C15H9FN2O3/c16-12-6-4-9(5-7-12)14-17-13(18-21-14)10-2-1-3-11(8-10)15(19)20/h1-8H,(H,19,20)
InChIKeyFRDCXPNCKJFKHZ-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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Related Compounds

3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11357624
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
sodium;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoate
CID 162252966
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 106689512
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 63024100
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
2-(4-fluorophenyl)-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 35521872
3-[5-[4-[(4-chlorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11486592
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone
CID 154721844

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CID 11818444) is 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is O=C(O)c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is FRDCXPNCKJFKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-12-6-4-9(5-7-12)14-17-13(18-21-14)10-2-1-3-11(8-10)15(19)20/h1-8H,(H,19,20).
What are the key properties of 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
3-[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 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 11818444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).