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

C5H9NO5 — CID 130149480

IUPAC5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CO)C(C(O)O)O1
InChIInChI=1S/C5H9NO5/c7-1-2-3(4(8)9)11-5(10)6-2/h2-4,7-9H,1H2,(H,6,10)
InChIKeyRMTWMBOVRQUXGA-UHFFFAOYSA-N
MW163.13 g/mol
LogP-2.23
Rot. Bonds2

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

5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 130149480) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is 5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID130149480
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CO)C(C(O)O)O1
InChIInChI=1S/C5H9NO5/c7-1-2-3(4(8)9)11-5(10)6-2/h2-4,7-9H,1H2,(H,6,10)
InChIKeyRMTWMBOVRQUXGA-UHFFFAOYSA-N
XLogP-2.23
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 14310920
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
5-(2-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062399
(4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101245138
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
4-(hydroxymethyl)-5-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115062397
(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one
CID 102316859
(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one
CID 10797671
(4R,5R)-5-cyclohexa-1,5-dien-3-yn-1-yl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 122484692
5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one
CID 15847421
(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 641518
5-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67254483

Frequently Asked Questions

What is the IUPAC name of 5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 130149480) is 5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1NC(CO)C(C(O)O)O1.
What is the InChIKey of 5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is RMTWMBOVRQUXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c7-1-2-3(4(8)9)11-5(10)6-2/h2-4,7-9H,1H2,(H,6,10).
What are the key properties of 5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 163.13 g/mol, XLogP of -2.23, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihydroxymethyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130149480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).