HCID22174754

4-{4-[5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-YL]phenyl}morpholin-3-one

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

C14H17N3O4291.3 g/molCAS 1265682-11-8

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IDENTITY

结构与身份

标准SMILES: NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIKey: DEXXSYVEWAYIGZ-UHFFFAOYSA-N
分子式: C14H17N3O4
平均分子量: 291.3 g/mol
单同位素质量: 291.12190603

COMPUTED

结构计算性质

已同步

XLogP: -0.4
极性表面积: 85.1 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 21
形式电荷: 0
复杂度: 409

ALIASES

名称与别名

共 13 条

1265682-11-8Rivaroxaban IntermediateSCHEMBL455793DTXSID90623242DEXXSYVEWAYIGZ-UHFFFAOYSA-NFDC169924-[4-[5-(aminomethyl)-2-oxo-oxazolidin-3-yl]phenyl]morpholin-3-oneRivaroxaban amino intermediate-Racemate4-{4-[5-(AMINOMETHYL)-2-OXO-1,3-OXAZOLIDIN-3-YL]PHENYL}MORPHOLIN-3-ONELS-143064-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one4-{4-[5-(aminomethyl)-2-oxo-1,3-oxazolidine-3-yl]-phenyl}-morpholine-3-oneracemic 4-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

REACTIONS

参与反应

5 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09376427B2

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