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

C9H5FN2O3 — CID 69195463

IUPAC3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C9H5FN2O3/c10-6-3-1-2-5(4-6)7-11-8(9(13)14)15-12-7/h1-4H,(H,13,14)
InChIKeyCLESYSDDJOHDGR-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.57
Rot. Bonds2

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

3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 69195463) has the molecular formula C9H5FN2O3 and a molecular weight of 208.15 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID69195463
Molecular FormulaC9H5FN2O3
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C9H5FN2O3/c10-6-3-1-2-5(4-6)7-11-8(9(13)14)15-12-7/h1-4H,(H,13,14)
InChIKeyCLESYSDDJOHDGR-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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Related Compounds

3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 63344235
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 59651736
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
CID 91051378
5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 70981008

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid (CID 69195463) is 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid is O=C(O)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is CLESYSDDJOHDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3/c10-6-3-1-2-5(4-6)7-11-8(9(13)14)15-12-7/h1-4H,(H,13,14).
What are the key properties of 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-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 3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 69195463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).