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

C11H9FN2O3 — CID 7130711

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyBUMRHSFCLPSTJE-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.89
Rot. Bonds4

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 7130711) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID7130711
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyBUMRHSFCLPSTJE-UHFFFAOYSA-N
XLogP1.89
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 7130711) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid is O=C(O)CCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is BUMRHSFCLPSTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 236.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 7130711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).