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

C7H13NO3 — CID 21464460

IUPAC3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCOC(C)N1CC(C)OC1=O
InChIInChI=1S/C7H13NO3/c1-5-4-8(6(2)10-3)7(9)11-5/h5-6H,4H2,1-3H3
InChIKeyHZFLEFNDDAJQJT-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.82
Rot. Bonds2

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

3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 21464460) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID21464460
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCOC(C)N1CC(C)OC1=O
InChIInChI=1S/C7H13NO3/c1-5-4-8(6(2)10-3)7(9)11-5/h5-6H,4H2,1-3H3
InChIKeyHZFLEFNDDAJQJT-UHFFFAOYSA-N
XLogP0.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one (CID 21464460) is 3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one is COC(C)N1CC(C)OC1=O.
What is the InChIKey of 3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is HZFLEFNDDAJQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-4-8(6(2)10-3)7(9)11-5/h5-6H,4H2,1-3H3.
What are the key properties of 3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one?
3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 21464460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).