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

C14H19N3O4 — CID 123323999

IUPAC4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESNCC1CN(c2ccc(N3CCOCC3=O)cc2)C(O)O1
InChIInChI=1S/C14H19N3O4/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18/h1-4,12,14,19H,5-9,15H2
InChIKeyAFDZAPYVLBQBQL-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.51
Rot. Bonds3

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

4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (PubChem CID 123323999) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
PubChem CID123323999
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESNCC1CN(c2ccc(N3CCOCC3=O)cc2)C(O)O1
InChIInChI=1S/C14H19N3O4/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18/h1-4,12,14,19H,5-9,15H2
InChIKeyAFDZAPYVLBQBQL-UHFFFAOYSA-N
XLogP-0.51
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;(E)-but-2-enedioic acid
CID 71548890
4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one
CID 152799530
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one
CID 129300076
4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 122625984
4-[3-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-5-fluorophenyl]morpholin-3-one
CID 141387165
(5S)-5-(aminomethyl)-3-[4-(3-hydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 135215945
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (CID 123323999) is 4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(O)O1.
What is the InChIKey of 4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The InChIKey is AFDZAPYVLBQBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18/h1-4,12,14,19H,5-9,15H2.
What are the key properties of 4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one has a molecular weight of 293.32 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 123323999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).