chempirical

2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione

C22H19N3O6CAS 446292-08-6421.41 g/mol

Open in Covalent MOL file
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AmideCarbamateEtherLactam

Properties

Molecular formula
C22H19N3O6
Molar mass
421.41 g/mol
Exact mass
421.1274 Da
logP
1.67Crippen estimate
Polar surface area
96.5 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
446292-08-6
SMILES
O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIKey
KUQNYAUTIWQAKY-MRXNPFEDSA-N
InChI
InChI=1S/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m1/s1

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Names and synonyms

5 names
  • 1H-Isoindole-1,3(2H)-dione, 2-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-
  • 2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1H-isoindole-1,3(2H)-dione
  • (S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione
  • 2-([(5S)-2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl)-1H-isoindole-1,3(2H)-dione
  • 2-[[(5S)-2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

Work with 2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-morpholin-3-one446292-10-066 % similar 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one hydrochloride898543-06-163 % similar 2-((2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl)-1H-isoindole-1,3(2H)-dione446292-07-561 % similar N-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-2-thiophenecarboxamide1415566-28-755 % similar Rivaroxaban366789-02-852 % similar 4-(4-Aminophenyl)morpholin-3-one438056-69-047 % similar 2-[(2S)-2-Oxiranylmethyl]-1H-isoindole-1,3(2H)-dione161596-47-044 % similar N-(2,3-Epoxypropyl)phthalimide5455-98-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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