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

Amide Carbamate Ether Lactam Primary 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 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation18.2% of notifiers
H317 May cause an allergic skin reaction81.8% of notifiers
H319 Causes serious eye irritation36.4% of notifiers
H335 May cause respiratory irritation18.2% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-morpholin-3-one446292-10-0Free base

Similar compounds

2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione446292-08-663 % similar Dechloro-rivaroxaban1415566-28-756 % similar Rivaroxaban366789-02-855 % similar 5-R-Rivaroxaban865479-71-655 % similar 4-(4-Aminophenyl)morpholin-3-one438056-69-053 % similar (5R)-3-(3-Fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione168828-82-841 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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