3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one

C11H20N2O5 — CID 19437330

IUPAC3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one
SMILESCC(O)CN1CC(C)OC1=O.CC1CNC(=O)O1
InChIInChI=1S/C7H13NO3.C4H7NO2/c1-5(9)3-8-4-6(2)11-7(8)10;1-3-2-5-4(6)7-3/h5-6,9H,3-4H2,1-2H3;3H,2H2,1H3,(H,5,6)
InChIKeyXWCDOGTWEYEJDA-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.32
Rot. Bonds2

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

3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one (PubChem CID 19437330) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one
PubChem CID19437330
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one
SMILESCC(O)CN1CC(C)OC1=O.CC1CNC(=O)O1
InChIInChI=1S/C7H13NO3.C4H7NO2/c1-5(9)3-8-4-6(2)11-7(8)10;1-3-2-5-4(6)7-3/h5-6,9H,3-4H2,1-2H3;3H,2H2,1H3,(H,5,6)
InChIKeyXWCDOGTWEYEJDA-UHFFFAOYSA-N
XLogP0.32
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one (CID 19437330) is 3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one is CC(O)CN1CC(C)OC1=O.CC1CNC(=O)O1.
What is the InChIKey of 3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one?
The InChIKey is XWCDOGTWEYEJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C4H7NO2/c1-5(9)3-8-4-6(2)11-7(8)10;1-3-2-5-4(6)7-3/h5-6,9H,3-4H2,1-2H3;3H,2H2,1H3,(H,5,6).
What are the key properties of 3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one?
3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one has a molecular weight of 260.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 19437330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).