3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide

C13H15N3O3 — CID 13050625

IUPAC3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide
SMILESCCC1COC(c2c[n+](=O)c3ccccc3n2[O-])N1
InChIInChI=1S/C13H15N3O3/c1-2-9-8-19-13(14-9)12-7-15(17)10-5-3-4-6-11(10)16(12)18/h3-7,9,13-14H,2,8H2,1H3
InChIKeyAYRJTXASITVHFS-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.30
Rot. Bonds2

About 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide

3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide (PubChem CID 13050625) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide.

Molecular Properties

Compound Name3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide
PubChem CID13050625
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide
SMILESCCC1COC(c2c[n+](=O)c3ccccc3n2[O-])N1
InChIInChI=1S/C13H15N3O3/c1-2-9-8-19-13(14-9)12-7-15(17)10-5-3-4-6-11(10)16(12)18/h3-7,9,13-14H,2,8H2,1H3
InChIKeyAYRJTXASITVHFS-UHFFFAOYSA-N
XLogP1.30
TPSA72.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide?
The IUPAC name of 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide (CID 13050625) is 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide.
What is the SMILES notation for 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide?
The canonical SMILES for 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide is CCC1COC(c2c[n+](=O)c3ccccc3n2[O-])N1.
What is the InChIKey of 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide?
The InChIKey is AYRJTXASITVHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-9-8-19-13(14-9)12-7-15(17)10-5-3-4-6-11(10)16(12)18/h3-7,9,13-14H,2,8H2,1H3.
What are the key properties of 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide?
3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide has a molecular weight of 261.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,3-oxazolidin-2-yl)-4-oxidoquinoxalin-1-ium 1-oxide is sourced from PubChem (CID 13050625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).