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

C15H9FN2O3 — CID 11219835

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IUPAC3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)
InChIKeyOOUGLTULBSNHNF-UHFFFAOYSA-N
MW284.25 g/mol
LogP3.24
Rot. Bonds3

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

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 11219835) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID11219835
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)
InChIKeyOOUGLTULBSNHNF-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

1-[(4-{5-[4-(3,3,3-Trifluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]azetidine-3-carboxylic acid
CID 11743459
3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate
CID 11208732
4-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747214
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CID 10491405
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
AC3056
CID 53429625
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25180854
Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides
CID 24229498
Icanbelimod
CID 117972004

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CID 11219835) is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is OOUGLTULBSNHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20).
What are the key properties of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid?
3-[5-(2-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-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 11219835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).