[(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate

C20H21NO5 — CID 90291631

IUPAC[(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate
SMILESO=C1NC([C@@H](COCc2ccccc2)COC(=O)c2ccccc2)CO1
InChIInChI=1S/C20H21NO5/c22-19(16-9-5-2-6-10-16)25-13-17(18-14-26-20(23)21-18)12-24-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,21,23)/t17-,18?/m0/s1
InChIKeyDIBRODSMCJVPRY-ZENAZSQFSA-N
MW355.39 g/mol
LogP2.78
Rot. Bonds8

About [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate

[(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate (PubChem CID 90291631) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate.

Molecular Properties

Compound Name[(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate
PubChem CID90291631
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate
SMILESO=C1NC([C@@H](COCc2ccccc2)COC(=O)c2ccccc2)CO1
InChIInChI=1S/C20H21NO5/c22-19(16-9-5-2-6-10-16)25-13-17(18-14-26-20(23)21-18)12-24-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,21,23)/t17-,18?/m0/s1
InChIKeyDIBRODSMCJVPRY-ZENAZSQFSA-N
XLogP2.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate?
The IUPAC name of [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate (CID 90291631) is [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate.
What is the SMILES notation for [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate?
The canonical SMILES for [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate is O=C1NC([C@@H](COCc2ccccc2)COC(=O)c2ccccc2)CO1.
What is the InChIKey of [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate?
The InChIKey is DIBRODSMCJVPRY-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H21NO5/c22-19(16-9-5-2-6-10-16)25-13-17(18-14-26-20(23)21-18)12-24-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,21,23)/t17-,18?/m0/s1.
What are the key properties of [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate?
[(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-oxo-1,3-oxazolidin-4-yl)-3-phenylmethoxypropyl] benzoate is sourced from PubChem (CID 90291631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).