methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate

C19H19N3O5 — CID 50851275

IUPACmethyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2C(=O)OC[C@H]2C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H19N3O5/c1-26-18(24)15-4-2-3-14(9-15)11-22-16(12-27-19(22)25)17(23)21-10-13-5-7-20-8-6-13/h2-9,16H,10-12H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyGPURQMKVYIHTJG-INIZCTEOSA-N
MW369.38 g/mol
LogP1.51
Rot. Bonds6

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

methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate (PubChem CID 50851275) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate
PubChem CID50851275
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namemethyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2C(=O)OC[C@H]2C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H19N3O5/c1-26-18(24)15-4-2-3-14(9-15)11-22-16(12-27-19(22)25)17(23)21-10-13-5-7-20-8-6-13/h2-9,16H,10-12H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyGPURQMKVYIHTJG-INIZCTEOSA-N
XLogP1.51
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate (CID 50851275) is methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate is COC(=O)c1cccc(CN2C(=O)OC[C@H]2C(=O)NCc2ccncc2)c1.
What is the InChIKey of methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate?
The InChIKey is GPURQMKVYIHTJG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-18(24)15-4-2-3-14(9-15)11-22-16(12-27-19(22)25)17(23)21-10-13-5-7-20-8-6-13/h2-9,16H,10-12H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate?
methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate has a molecular weight of 369.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate is sourced from PubChem (CID 50851275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).