5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid

C9H5FN2O3 — CID 69195393

IUPAC5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C9H5FN2O3/c10-6-3-1-2-5(4-6)7-11-12-8(15-7)9(13)14/h1-4H,(H,13,14)
InChIKeyDENVYWLJMAOKAU-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.57
Rot. Bonds2

About 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid

5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 69195393) has the molecular formula C9H5FN2O3 and a molecular weight of 208.15 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID69195393
Molecular FormulaC9H5FN2O3
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C9H5FN2O3/c10-6-3-1-2-5(4-6)7-11-12-8(15-7)9(13)14/h1-4H,(H,13,14)
InChIKeyDENVYWLJMAOKAU-UHFFFAOYSA-N
XLogP1.57
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 69195393) is 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is DENVYWLJMAOKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3/c10-6-3-1-2-5(4-6)7-11-12-8(15-7)9(13)14/h1-4H,(H,13,14).
What are the key properties of 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 208.15 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 69195393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).