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

C23H18FNO4 — CID 24965218

IUPAC3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(CN3CC(c4ccc(F)cc4)OC3=O)cc2)c1
InChIInChI=1S/C23H18FNO4/c24-20-10-8-17(9-11-20)21-14-25(23(28)29-21)13-15-4-6-16(7-5-15)18-2-1-3-19(12-18)22(26)27/h1-12,21H,13-14H2,(H,26,27)
InChIKeyDXHAFEITLYVCRG-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.88
Rot. Bonds5

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

3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid (PubChem CID 24965218) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid
PubChem CID24965218
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(CN3CC(c4ccc(F)cc4)OC3=O)cc2)c1
InChIInChI=1S/C23H18FNO4/c24-20-10-8-17(9-11-20)21-14-25(23(28)29-21)13-15-4-6-16(7-5-15)18-2-1-3-19(12-18)22(26)27/h1-12,21H,13-14H2,(H,26,27)
InChIKeyDXHAFEITLYVCRG-UHFFFAOYSA-N
XLogP4.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid?
The IUPAC name of 3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid (CID 24965218) is 3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid.
What is the SMILES notation for 3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid?
The canonical SMILES for 3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid is O=C(O)c1cccc(-c2ccc(CN3CC(c4ccc(F)cc4)OC3=O)cc2)c1.
What is the InChIKey of 3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid?
The InChIKey is DXHAFEITLYVCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4/c24-20-10-8-17(9-11-20)21-14-25(23(28)29-21)13-15-4-6-16(7-5-15)18-2-1-3-19(12-18)22(26)27/h1-12,21H,13-14H2,(H,26,27).
What are the key properties of 3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid?
3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid has a molecular weight of 391.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 24965218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).