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

C17H14FNO5 — CID 11151685

IUPAC4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCC2CN(c3ccccc3F)C(=O)O2)cc1
InChIInChI=1S/C17H14FNO5/c18-14-3-1-2-4-15(14)19-9-13(24-17(19)22)10-23-12-7-5-11(6-8-12)16(20)21/h1-8,13H,9-10H2,(H,20,21)
InChIKeyJZKHAARNWXTGPC-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.93
Rot. Bonds5

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

4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid (PubChem CID 11151685) has the molecular formula C17H14FNO5 and a molecular weight of 331.30 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
PubChem CID11151685
Molecular FormulaC17H14FNO5
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCC2CN(c3ccccc3F)C(=O)O2)cc1
InChIInChI=1S/C17H14FNO5/c18-14-3-1-2-4-15(14)19-9-13(24-17(19)22)10-23-12-7-5-11(6-8-12)16(20)21/h1-8,13H,9-10H2,(H,20,21)
InChIKeyJZKHAARNWXTGPC-UHFFFAOYSA-N
XLogP2.93
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid?
The IUPAC name of 4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid (CID 11151685) is 4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid?
The canonical SMILES for 4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid is O=C(O)c1ccc(OCC2CN(c3ccccc3F)C(=O)O2)cc1.
What is the InChIKey of 4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid?
The InChIKey is JZKHAARNWXTGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO5/c18-14-3-1-2-4-15(14)19-9-13(24-17(19)22)10-23-12-7-5-11(6-8-12)16(20)21/h1-8,13H,9-10H2,(H,20,21).
What are the key properties of 4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid?
4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid has a molecular weight of 331.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid is sourced from PubChem (CID 11151685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).