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

C14H8FN3O3 — CID 135217843

IUPAC3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3cnccc3F)n2)c1
InChIInChI=1S/C14H8FN3O3/c15-11-4-5-16-7-10(11)13-17-12(18-21-13)8-2-1-3-9(6-8)14(19)20/h1-7H,(H,19,20)
InChIKeyWZUUBFPDNHWMTB-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.64
Rot. Bonds3

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

3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 135217843) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is 3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID135217843
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC Name3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3cnccc3F)n2)c1
InChIInChI=1S/C14H8FN3O3/c15-11-4-5-16-7-10(11)13-17-12(18-21-13)8-2-1-3-9(6-8)14(19)20/h1-7H,(H,19,20)
InChIKeyWZUUBFPDNHWMTB-UHFFFAOYSA-N
XLogP2.64
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CID 135217843) is 3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid is O=C(O)c1cccc(-c2noc(-c3cnccc3F)n2)c1.
What is the InChIKey of 3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is WZUUBFPDNHWMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-11-4-5-16-7-10(11)13-17-12(18-21-13)8-2-1-3-9(6-8)14(19)20/h1-7H,(H,19,20).
What are the key properties of 3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid has a molecular weight of 285.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 135217843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).