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

C16H11FN2O4 — CID 30028981

IUPAC2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H11FN2O4/c17-11-7-5-10(6-8-11)15-18-14(23-19-15)9-22-13-4-2-1-3-12(13)16(20)21/h1-8H,9H2,(H,20,21)
InChIKeyKATJPPTXCASIML-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.15
Rot. Bonds5

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

2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid (PubChem CID 30028981) has the molecular formula C16H11FN2O4 and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
PubChem CID30028981
Molecular FormulaC16H11FN2O4
Molecular Weight314.27 g/mol
Exact Mass314.07
IUPAC Name2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H11FN2O4/c17-11-7-5-10(6-8-11)15-18-14(23-19-15)9-22-13-4-2-1-3-12(13)16(20)21/h1-8H,9H2,(H,20,21)
InChIKeyKATJPPTXCASIML-UHFFFAOYSA-N
XLogP3.15
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238419
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 25238409
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 29362114
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
CID 8607847
3-(4-fluorophenyl)-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,2,4-oxadiazole
CID 40676082
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfonylbenzoate
CID 18171214
(4-benzylpiperazin-1-yl)-[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 46267115
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238106

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid (CID 30028981) is 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid is O=C(O)c1ccccc1OCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid?
The InChIKey is KATJPPTXCASIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4/c17-11-7-5-10(6-8-11)15-18-14(23-19-15)9-22-13-4-2-1-3-12(13)16(20)21/h1-8H,9H2,(H,20,21).
What are the key properties of 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid?
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid has a molecular weight of 314.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid is sourced from PubChem (CID 30028981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).