2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid

C25H22FNO4 — CID 57391226

IUPAC2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1cc(F)ccc1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C25H22FNO4/c1-16-24(19-5-3-2-4-6-19)31-25(30)27(16)15-20-14-21(26)11-12-22(20)18-9-7-17(8-10-18)13-23(28)29/h2-12,14,16,24H,13,15H2,1H3,(H,28,29)/t16-,24-/m0/s1
InChIKeyFANBLPNVRQXKAU-FYSMJZIKSA-N
MW419.45 g/mol
LogP5.20
Rot. Bonds6

About 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid

2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid (PubChem CID 57391226) has the molecular formula C25H22FNO4 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
PubChem CID57391226
Molecular FormulaC25H22FNO4
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC Name2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1cc(F)ccc1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C25H22FNO4/c1-16-24(19-5-3-2-4-6-19)31-25(30)27(16)15-20-14-21(26)11-12-22(20)18-9-7-17(8-10-18)13-23(28)29/h2-12,14,16,24H,13,15H2,1H3,(H,28,29)/t16-,24-/m0/s1
InChIKeyFANBLPNVRQXKAU-FYSMJZIKSA-N
XLogP5.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.45
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid (CID 57391226) is 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1cc(F)ccc1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
The InChIKey is FANBLPNVRQXKAU-FYSMJZIKSA-N. The full InChI is InChI=1S/C25H22FNO4/c1-16-24(19-5-3-2-4-6-19)31-25(30)27(16)15-20-14-21(26)11-12-22(20)18-9-7-17(8-10-18)13-23(28)29/h2-12,14,16,24H,13,15H2,1H3,(H,28,29)/t16-,24-/m0/s1.
What are the key properties of 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid?
2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid has a molecular weight of 419.45 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 57391226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).