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

C18H15FN2O4 — CID 75511301

IUPAC3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C18H15FN2O4/c19-14-6-4-13(5-7-14)18-20-16(25-21-18)11-24-15-8-1-12(2-9-15)3-10-17(22)23/h1-2,4-9H,3,10-11H2,(H,22,23)
InChIKeyLGLJNGWBRYSAMF-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.47
Rot. Bonds7

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

3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid (PubChem CID 75511301) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
PubChem CID75511301
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C18H15FN2O4/c19-14-6-4-13(5-7-14)18-20-16(25-21-18)11-24-15-8-1-12(2-9-15)3-10-17(22)23/h1-2,4-9H,3,10-11H2,(H,22,23)
InChIKeyLGLJNGWBRYSAMF-UHFFFAOYSA-N
XLogP3.47
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-((5-(3,5-Difluorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-2-isopropoxypropanoic acid
CID 44316568
4-[4-[[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663384
5-[(2-Methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 705847
5-[(2,4-Dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 876417
5-(4-Methoxybenzyl)-3-phenyl-1,2,4-oxadiazole
CID 957143
3-(4-((5-(3,5-Bis(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-2-isopropoxypropanoic acid
CID 10098103
2-Isopropoxy-3-(4-((5-(4-isopropylphenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)propanoic acid
CID 10387634
3-(4-((5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-2-isopropoxypropanoic acid
CID 10410878
3-(4-((5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-2-isopropoxypropanoic acid
CID 11704026
2-Isopropoxy-3-(4-(2-(5-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)ethoxy)phenyl)propanoic acid
CID 44316114
2-Isopropoxy-3-(4-((5-phenyl-1,2,4-oxadiazol-3-yl)methoxy)phenyl)propanoic acid
CID 44316347
3-(4-((5-(3-Fluorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-2-isopropoxypropanoic acid
CID 44316348

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid (CID 75511301) is 3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid?
The InChIKey is LGLJNGWBRYSAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-14-6-4-13(5-7-14)18-20-16(25-21-18)11-24-15-8-1-12(2-9-15)3-10-17(22)23/h1-2,4-9H,3,10-11H2,(H,22,23).
What are the key properties of 3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid?
3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid has a molecular weight of 342.33 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 75511301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).