(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium

C9H19N2O2+ — CID 10615133

IUPAC(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium
SMILESCCN1CC(C[N+](C)(C)C)OC1=O
InChIInChI=1S/C9H19N2O2/c1-5-10-6-8(13-9(10)12)7-11(2,3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyWVUZIKXOJFNQJU-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.53
Rot. Bonds3

About (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium

(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium (PubChem CID 10615133) has the molecular formula C9H19N2O2+ and a molecular weight of 187.26 g/mol. Its IUPAC name is (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium.

Molecular Properties

Compound Name(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium
PubChem CID10615133
Molecular FormulaC9H19N2O2+
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium
SMILESCCN1CC(C[N+](C)(C)C)OC1=O
InChIInChI=1S/C9H19N2O2/c1-5-10-6-8(13-9(10)12)7-11(2,3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyWVUZIKXOJFNQJU-UHFFFAOYSA-N
XLogP0.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium?
The IUPAC name of (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium (CID 10615133) is (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium.
What is the SMILES notation for (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium?
The canonical SMILES for (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium is CCN1CC(C[N+](C)(C)C)OC1=O.
What is the InChIKey of (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium?
The InChIKey is WVUZIKXOJFNQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2/c1-5-10-6-8(13-9(10)12)7-11(2,3)4/h8H,5-7H2,1-4H3/q+1.
What are the key properties of (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium?
(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium has a molecular weight of 187.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium is sourced from PubChem (CID 10615133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).