5-hydroxy-3-methyl-1,3-oxazolidin-2-one

C4H7NO3 — CID 67762404

IUPAC5-hydroxy-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(O)OC1=O
InChIInChI=1S/C4H7NO3/c1-5-2-3(6)8-4(5)7/h3,6H,2H2,1H3
InChIKeyQXRSJTNCRBCPLH-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.61
Rot. Bonds

About 5-hydroxy-3-methyl-1,3-oxazolidin-2-one

5-hydroxy-3-methyl-1,3-oxazolidin-2-one (PubChem CID 67762404) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-3-methyl-1,3-oxazolidin-2-one
PubChem CID67762404
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name5-hydroxy-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(O)OC1=O
InChIInChI=1S/C4H7NO3/c1-5-2-3(6)8-4(5)7/h3,6H,2H2,1H3
InChIKeyQXRSJTNCRBCPLH-UHFFFAOYSA-N
XLogP-0.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-hydroxy-3-methyl-1,3-oxazolidin-2-one (CID 67762404) is 5-hydroxy-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-hydroxy-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-hydroxy-3-methyl-1,3-oxazolidin-2-one is CN1CC(O)OC1=O.
What is the InChIKey of 5-hydroxy-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is QXRSJTNCRBCPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-5-2-3(6)8-4(5)7/h3,6H,2H2,1H3.
What are the key properties of 5-hydroxy-3-methyl-1,3-oxazolidin-2-one?
5-hydroxy-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 117.10 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67762404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).