5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

C14H18N2O4 — CID 22014481

IUPAC5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N2O4/c17-10-13-9-16(14(18)20-13)12-3-1-11(2-4-12)15-5-7-19-8-6-15/h1-4,13,17H,5-10H2
InChIKeyXBIDNDZEMBYVFR-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.84
Rot. Bonds3

About 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 22014481) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID22014481
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N2O4/c17-10-13-9-16(14(18)20-13)12-3-1-11(2-4-12)15-5-7-19-8-6-15/h1-4,13,17H,5-10H2
InChIKeyXBIDNDZEMBYVFR-UHFFFAOYSA-N
XLogP0.84
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(hydroxymethyl)-3-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 69127864
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
(5R)-5-(hydroxymethyl)-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 58777713
5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one
CID 13038088
5-(hydroxymethyl)-3-[4-(methoxyamino)phenyl]-1,3-oxazolidin-2-one
CID 143663891
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
2-(4-morpholin-4-ylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110632593
(5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one
CID 70208277
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (CID 22014481) is 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is XBIDNDZEMBYVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-10-13-9-16(14(18)20-13)12-3-1-11(2-4-12)15-5-7-19-8-6-15/h1-4,13,17H,5-10H2.
What are the key properties of 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 278.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22014481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).