3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium

C6H11NO2 — CID 171666009

IUPAC3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium
SMILESCC1=[N+]([O-])OC(C)(C)C1
InChIInChI=1S/C6H11NO2/c1-5-4-6(2,3)9-7(5)8/h4H2,1-3H3
InChIKeyMHNWARFZVGJNOQ-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.07
Rot. Bonds

About 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium

3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium (PubChem CID 171666009) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium.

Molecular Properties

Compound Name3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium
PubChem CID171666009
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium
SMILESCC1=[N+]([O-])OC(C)(C)C1
InChIInChI=1S/C6H11NO2/c1-5-4-6(2,3)9-7(5)8/h4H2,1-3H3
InChIKeyMHNWARFZVGJNOQ-UHFFFAOYSA-N
XLogP1.07
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium 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 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium?
The IUPAC name of 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium (CID 171666009) is 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium.
What is the SMILES notation for 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium?
The canonical SMILES for 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium is CC1=[N+]([O-])OC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium?
The InChIKey is MHNWARFZVGJNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-4-6(2,3)9-7(5)8/h4H2,1-3H3.
What are the key properties of 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium?
3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium has a molecular weight of 129.16 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-2-oxido-4H-1,2-oxazol-2-ium is sourced from PubChem (CID 171666009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).