2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid

C10H7FN2O4 — CID 107013857

IUPAC2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
SMILESO=C(O)c1c(F)cccc1OCc1ncno1
InChIInChI=1S/C10H7FN2O4/c11-6-2-1-3-7(9(6)10(14)15)16-4-8-12-5-13-17-8/h1-3,5H,4H2,(H,14,15)
InChIKeyXPKCIVBACMIQRY-UHFFFAOYSA-N
MW238.17 g/mol
LogP1.49
Rot. Bonds4

About 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid

2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid (PubChem CID 107013857) has the molecular formula C10H7FN2O4 and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
PubChem CID107013857
Molecular FormulaC10H7FN2O4
Molecular Weight238.17 g/mol
Exact Mass238.04
IUPAC Name2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
SMILESO=C(O)c1c(F)cccc1OCc1ncno1
InChIInChI=1S/C10H7FN2O4/c11-6-2-1-3-7(9(6)10(14)15)16-4-8-12-5-13-17-8/h1-3,5H,4H2,(H,14,15)
InChIKeyXPKCIVBACMIQRY-UHFFFAOYSA-N
XLogP1.49
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119
2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107014003
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid
CID 107014090
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
2-but-3-enoxy-6-fluorobenzoic acid
CID 79511653
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
2-fluoro-6-(2-methylsulfanylethoxy)benzoic acid
CID 107013890
2-fluoro-6-(3-hydroxybutoxy)benzoic acid
CID 107014139

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid?
The IUPAC name of 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid (CID 107013857) is 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid?
The canonical SMILES for 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid is O=C(O)c1c(F)cccc1OCc1ncno1.
What is the InChIKey of 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid?
The InChIKey is XPKCIVBACMIQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4/c11-6-2-1-3-7(9(6)10(14)15)16-4-8-12-5-13-17-8/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid?
2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid has a molecular weight of 238.17 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid is sourced from PubChem (CID 107013857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).