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

C19H19NO5 — CID 15923967

IUPAC[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate
SMILESO=C1N[C@@H]([C@@H](COCc2ccccc2)OC(=O)c2ccccc2)CO1
InChIInChI=1S/C19H19NO5/c21-18(15-9-5-2-6-10-15)25-17(16-12-24-19(22)20-16)13-23-11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m1/s1
InChIKeyDQVKPGWQSKPQHR-IAGOWNOFSA-N
MW341.36 g/mol
LogP2.54
Rot. Bonds7

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

[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate (PubChem CID 15923967) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate.

Molecular Properties

Compound Name[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate
PubChem CID15923967
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate
SMILESO=C1N[C@@H]([C@@H](COCc2ccccc2)OC(=O)c2ccccc2)CO1
InChIInChI=1S/C19H19NO5/c21-18(15-9-5-2-6-10-15)25-17(16-12-24-19(22)20-16)13-23-11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m1/s1
InChIKeyDQVKPGWQSKPQHR-IAGOWNOFSA-N
XLogP2.54
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate?
The IUPAC name of [(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate (CID 15923967) is [(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate.
What is the SMILES notation for [(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate?
The canonical SMILES for [(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate is O=C1N[C@@H]([C@@H](COCc2ccccc2)OC(=O)c2ccccc2)CO1.
What is the InChIKey of [(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate?
The InChIKey is DQVKPGWQSKPQHR-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H19NO5/c21-18(15-9-5-2-6-10-15)25-17(16-12-24-19(22)20-16)13-23-11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of [(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate?
[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate has a molecular weight of 341.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate is sourced from PubChem (CID 15923967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).