(5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one

C6H11NO2 — CID 59885088

IUPAC(5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1OC(=O)NC1(C)C
InChIInChI=1S/C6H11NO2/c1-4-6(2,3)7-5(8)9-4/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKeyZTQCGMBZVLKVSX-BYPYZUCNSA-N
MW129.16 g/mol
LogP0.89
Rot. Bonds

About (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one

(5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 59885088) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID59885088
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1OC(=O)NC1(C)C
InChIInChI=1S/C6H11NO2/c1-4-6(2,3)7-5(8)9-4/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKeyZTQCGMBZVLKVSX-BYPYZUCNSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4,4-dimethyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 155652774
(3aS,4S,7aS)-6-hydroxy-4,7a-dimethyl-3a,4,6,7-tetrahydro-1H-pyrano[4,3-d][1,3]oxazol-2-one
CID 130892046
CID 70546334
CID 70546334
3-ethyl-3,4-dimethyloxetan-2-one
CID 87128552
4,5-dimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 11789227
ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen
CID 144512967
2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166026899
(5S)-2,2,5-trimethylimidazolidin-4-one
CID 13443913
6-tert-butyl-5,5-dimethylmorpholin-3-one
CID 121207446
4-tert-butyl-4-methyl-1,3-oxazolidine-2,5-dione
CID 11126720
3,5,6,6-tetramethylpiperidin-2-one
CID 170011780
5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one
CID 134163295

Frequently Asked Questions

What is the IUPAC name of (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one (CID 59885088) is (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one is C[C@@H]1OC(=O)NC1(C)C.
What is the InChIKey of (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is ZTQCGMBZVLKVSX-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-6(2,3)7-5(8)9-4/h4H,1-3H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one?
(5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59885088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).