5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one

C5H9NO3 — CID 14456876

IUPAC5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CO)OC1=O
InChIInChI=1S/C5H9NO3/c1-6-2-4(3-7)9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyNOGODPXRSZBASZ-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.57
Rot. Bonds1

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

5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 14456876) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID14456876
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CO)OC1=O
InChIInChI=1S/C5H9NO3/c1-6-2-4(3-7)9-5(6)8/h4,7H,2-3H2,1H3
InChIKeyNOGODPXRSZBASZ-UHFFFAOYSA-N
XLogP-0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one (CID 14456876) is 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one is CN1CC(CO)OC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is NOGODPXRSZBASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-6-2-4(3-7)9-5(6)8/h4,7H,2-3H2,1H3.
What are the key properties of 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 131.13 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14456876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).