chempirical

4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one hydrochloride

C14H18ClN3O4CAS 898543-06-1327.77 g/mol

Open in Covalent MOL file
HClNH2NNOOOO
AmideCarbamateEtherLactamPrimary amine

Properties

Molecular formula
C14H18ClN3O4
Molar mass
327.77 g/mol
Exact mass
327.0986 Da
logP
0.76Crippen estimate
Polar surface area
85.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
898543-06-1
SMILES
Cl.NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIKey
ITMQDYQHNKXERQ-YDALLXLXSA-N
InChI
InChI=1S/C14H17N3O4.ClH/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18;/h1-4,12H,5-9,15H2;1H/t12-;/m0./s1

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Names and synonyms

2 names
  • 3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, hydrochloride (1:1)
  • 3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, monohydrochloride

Work with 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one hydrochloride

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-one446292-10-093 % similar 2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione446292-08-663 % similar N-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-2-thiophenecarboxamide1415566-28-756 % similar Rivaroxaban366789-02-855 % similar 4-(4-Aminophenyl)morpholin-3-one438056-69-053 % similar 2-((2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl)-1H-isoindole-1,3(2H)-dione446292-07-540 % similar (5R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone168828-84-039 % similar Linezolid165800-03-336 % similar

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

Elsewhere

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