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

C25H23NO5 — CID 70989644

IUPAC2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid
SMILESCc1ccc(Oc2cccc(CC(=O)O)c2)c(CN2C(=O)OC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C25H23NO5/c1-17-10-11-23(31-21-9-5-6-18(13-21)14-24(27)28)20(12-17)15-26-22(16-30-25(26)29)19-7-3-2-4-8-19/h2-13,22H,14-16H2,1H3,(H,27,28)/t22-/m1/s1
InChIKeySPCAUZVCYIGLAW-JOCHJYFZSA-N
MW417.46 g/mol
LogP5.11
Rot. Bonds7

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

2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid (PubChem CID 70989644) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid
PubChem CID70989644
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid
SMILESCc1ccc(Oc2cccc(CC(=O)O)c2)c(CN2C(=O)OC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C25H23NO5/c1-17-10-11-23(31-21-9-5-6-18(13-21)14-24(27)28)20(12-17)15-26-22(16-30-25(26)29)19-7-3-2-4-8-19/h2-13,22H,14-16H2,1H3,(H,27,28)/t22-/m1/s1
InChIKeySPCAUZVCYIGLAW-JOCHJYFZSA-N
XLogP5.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid (CID 70989644) is 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid is Cc1ccc(Oc2cccc(CC(=O)O)c2)c(CN2C(=O)OC[C@@H]2c2ccccc2)c1.
What is the InChIKey of 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid?
The InChIKey is SPCAUZVCYIGLAW-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23NO5/c1-17-10-11-23(31-21-9-5-6-18(13-21)14-24(27)28)20(12-17)15-26-22(16-30-25(26)29)19-7-3-2-4-8-19/h2-13,22H,14-16H2,1H3,(H,27,28)/t22-/m1/s1.
What are the key properties of 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid?
2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid has a molecular weight of 417.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-methyl-2-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetic acid is sourced from PubChem (CID 70989644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).