5-(diethoxymethyl)-1,3-oxazolidin-2-one

C8H15NO4 — CID 139022391

IUPAC5-(diethoxymethyl)-1,3-oxazolidin-2-one
SMILESCCOC(OCC)C1CNC(=O)O1
InChIInChI=1S/C8H15NO4/c1-3-11-7(12-4-2)6-5-9-8(10)13-6/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyRXWUZUGCBFZCCG-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.49
Rot. Bonds5

About 5-(diethoxymethyl)-1,3-oxazolidin-2-one

5-(diethoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 139022391) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-(diethoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(diethoxymethyl)-1,3-oxazolidin-2-one
PubChem CID139022391
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name5-(diethoxymethyl)-1,3-oxazolidin-2-one
SMILESCCOC(OCC)C1CNC(=O)O1
InChIInChI=1S/C8H15NO4/c1-3-11-7(12-4-2)6-5-9-8(10)13-6/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyRXWUZUGCBFZCCG-UHFFFAOYSA-N
XLogP0.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(diethoxymethyl)-1,3-oxazolidin-2-one (CID 139022391) is 5-(diethoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(diethoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(diethoxymethyl)-1,3-oxazolidin-2-one is CCOC(OCC)C1CNC(=O)O1.
What is the InChIKey of 5-(diethoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is RXWUZUGCBFZCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-11-7(12-4-2)6-5-9-8(10)13-6/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 5-(diethoxymethyl)-1,3-oxazolidin-2-one?
5-(diethoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 189.21 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139022391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).