3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid

C10H7FN2O4 — CID 112612232

IUPAC3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(F)c1OCc1ncon1
InChIInChI=1S/C10H7FN2O4/c11-7-3-1-2-6(10(14)15)9(7)16-4-8-12-5-17-13-8/h1-3,5H,4H2,(H,14,15)
InChIKeyVWKJZFBHNPUEOL-UHFFFAOYSA-N
MW238.17 g/mol
LogP1.49
Rot. Bonds4

About 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid

3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid (PubChem CID 112612232) has the molecular formula C10H7FN2O4 and a molecular weight of 238.17 g/mol. Its IUPAC name is 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
PubChem CID112612232
Molecular FormulaC10H7FN2O4
Molecular Weight238.17 g/mol
Exact Mass238.04
IUPAC Name3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(F)c1OCc1ncon1
InChIInChI=1S/C10H7FN2O4/c11-7-3-1-2-6(10(14)15)9(7)16-4-8-12-5-17-13-8/h1-3,5H,4H2,(H,14,15)
InChIKeyVWKJZFBHNPUEOL-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-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
3-fluoro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 115955982
3-fluoro-2-(2-methoxyethoxy)benzoic acid
CID 62650952
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
2-butoxy-3-fluorobenzoic acid
CID 62648647
N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115955286
3-fluoro-2-(4-methoxybutoxy)benzoic acid
CID 104647732
2-(cyclopropylmethoxy)-3-fluorobenzoic acid
CID 62650953
2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid
CID 115956010
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106397156
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid?
The IUPAC name of 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid (CID 112612232) is 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid?
The canonical SMILES for 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid is O=C(O)c1cccc(F)c1OCc1ncon1.
What is the InChIKey of 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid?
The InChIKey is VWKJZFBHNPUEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4/c11-7-3-1-2-6(10(14)15)9(7)16-4-8-12-5-17-13-8/h1-3,5H,4H2,(H,14,15).
What are the key properties of 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid?
3-fluoro-2-(1,2,4-oxadiazol-3-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 3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 112612232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).