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

C19H25N3O6 — CID 50851333

IUPACmethyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)OC[C@H]2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H25N3O6/c1-26-18(24)15-4-2-14(3-5-15)12-22-16(13-28-19(22)25)17(23)20-6-7-21-8-10-27-11-9-21/h2-5,16H,6-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyQGIIXNDFNOMIDH-INIZCTEOSA-N
MW391.42 g/mol
LogP0.24
Rot. Bonds7

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

methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate (PubChem CID 50851333) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
PubChem CID50851333
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Namemethyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)OC[C@H]2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H25N3O6/c1-26-18(24)15-4-2-14(3-5-15)12-22-16(13-28-19(22)25)17(23)20-6-7-21-8-10-27-11-9-21/h2-5,16H,6-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyQGIIXNDFNOMIDH-INIZCTEOSA-N
XLogP0.24
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate with MolForge

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Related Compounds

(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851166
(4S)-N-(2-morpholin-4-ylethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851360
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 4-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]benzoate
CID 111040659
methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
CID 113176363
1-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955471
methyl 4-[[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111162388
methyl 4-[[4-[4-methyl-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]triazol-1-yl]methyl]benzoate
CID 155544435
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 95739472
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544
2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91919767
2-[[(4S)-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid
CID 50851565

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate (CID 50851333) is methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate is COC(=O)c1ccc(CN2C(=O)OC[C@H]2C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate?
The InChIKey is QGIIXNDFNOMIDH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-26-18(24)15-4-2-14(3-5-15)12-22-16(13-28-19(22)25)17(23)20-6-7-21-8-10-27-11-9-21/h2-5,16H,6-13H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate?
methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate has a molecular weight of 391.42 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate is sourced from PubChem (CID 50851333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).