4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine

C6H13NO — CID 10887883

IUPAC4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine
SMILES[2H]C([2H])([2H])C1NC(C)(C)CO1
InChIInChI=1S/C6H13NO/c1-5-7-6(2,3)4-8-5/h5,7H,4H2,1-3H3/i1D3
InChIKeyNLUVWKFUEKKXTB-FIBGUPNXSA-N
MW118.19 g/mol
LogP0.73
Rot. Bonds1

About 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine

4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine (PubChem CID 10887883) has the molecular formula C6H13NO and a molecular weight of 118.19 g/mol. Its IUPAC name is 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine
PubChem CID10887883
Molecular FormulaC6H13NO
Molecular Weight118.19 g/mol
Exact Mass118.12
IUPAC Name4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine
SMILES[2H]C([2H])([2H])C1NC(C)(C)CO1
InChIInChI=1S/C6H13NO/c1-5-7-6(2,3)4-8-5/h5,7H,4H2,1-3H3/i1D3
InChIKeyNLUVWKFUEKKXTB-FIBGUPNXSA-N
XLogP0.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine 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 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine?
The IUPAC name of 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine (CID 10887883) is 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine?
The canonical SMILES for 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine is [2H]C([2H])([2H])C1NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine?
The InChIKey is NLUVWKFUEKKXTB-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-7-6(2,3)4-8-5/h5,7H,4H2,1-3H3/i1D3.
What are the key properties of 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine?
4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine has a molecular weight of 118.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine is sourced from PubChem (CID 10887883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).