3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid

C14H9N3O3 — CID 11357624

IUPAC3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3ccncc3)n2)c1
InChIInChI=1S/C14H9N3O3/c18-14(19)11-3-1-2-10(8-11)12-16-13(20-17-12)9-4-6-15-7-5-9/h1-8H,(H,18,19)
InChIKeyQJZYKOFYERZLHY-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.50
Rot. Bonds3

About 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid

3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid (PubChem CID 11357624) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
PubChem CID11357624
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3ccncc3)n2)c1
InChIInChI=1S/C14H9N3O3/c18-14(19)11-3-1-2-10(8-11)12-16-13(20-17-12)9-4-6-15-7-5-9/h1-8H,(H,18,19)
InChIKeyQJZYKOFYERZLHY-UHFFFAOYSA-N
XLogP2.50
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444
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
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 63024100
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 79807411
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
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
2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid
CID 67702705
3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11483040

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid?
The IUPAC name of 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid (CID 11357624) is 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid.
What is the SMILES notation for 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid?
The canonical SMILES for 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid is O=C(O)c1cccc(-c2noc(-c3ccncc3)n2)c1.
What is the InChIKey of 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid?
The InChIKey is QJZYKOFYERZLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-14(19)11-3-1-2-10(8-11)12-16-13(20-17-12)9-4-6-15-7-5-9/h1-8H,(H,18,19).
What are the key properties of 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid?
3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid has a molecular weight of 267.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid is sourced from PubChem (CID 11357624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).