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

C15H19N3O5 — CID 122625984

IUPAC4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(N2CC(CNCO)OC2=O)cc1
InChIInChI=1S/C15H19N3O5/c19-10-16-7-13-8-18(15(21)23-13)12-3-1-11(2-4-12)17-5-6-22-9-14(17)20/h1-4,13,16,19H,5-10H2
InChIKeyQLEGHMSRAXYFAO-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.09
Rot. Bonds5

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

4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (PubChem CID 122625984) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
PubChem CID122625984
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(N2CC(CNCO)OC2=O)cc1
InChIInChI=1S/C15H19N3O5/c19-10-16-7-13-8-18(15(21)23-13)12-3-1-11(2-4-12)17-5-6-22-9-14(17)20/h1-4,13,16,19H,5-10H2
InChIKeyQLEGHMSRAXYFAO-UHFFFAOYSA-N
XLogP-0.09
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[4-[5-[(benzylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 71272776
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 67314038
4-fluoro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 21027199
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-[(5S)-2-oxo-5-(3-phenylpropyl)-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 158701330
3,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 155905787
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
4-ethyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 54766841
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
N-formyl-2-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 138457870

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (CID 122625984) is 4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(N2CC(CNCO)OC2=O)cc1.
What is the InChIKey of 4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The InChIKey is QLEGHMSRAXYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-10-16-7-13-8-18(15(21)23-13)12-3-1-11(2-4-12)17-5-6-22-9-14(17)20/h1-4,13,16,19H,5-10H2.
What are the key properties of 4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one has a molecular weight of 321.33 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 122625984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).