[(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate

C9H15NO4 — CID 154236104

IUPAC[(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1OC(=O)N(C(C)C)[C@@H]1C
InChIInChI=1S/C9H15NO4/c1-5(2)10-6(3)8(13-7(4)11)14-9(10)12/h5-6,8H,1-4H3/t6-,8+/m1/s1
InChIKeyCQGLVVFTIYKYLU-SVRRBLITSA-N
MW201.22 g/mol
LogP1.12
Rot. Bonds2

About [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate

[(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate (PubChem CID 154236104) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate.

Molecular Properties

Compound Name[(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate
PubChem CID154236104
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1OC(=O)N(C(C)C)[C@@H]1C
InChIInChI=1S/C9H15NO4/c1-5(2)10-6(3)8(13-7(4)11)14-9(10)12/h5-6,8H,1-4H3/t6-,8+/m1/s1
InChIKeyCQGLVVFTIYKYLU-SVRRBLITSA-N
XLogP1.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate 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

(4S)-5-hydroxy-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 67896747
(4R,5S)-5-(hydroxymethyl)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 18640470
[(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate
CID 70360453
(3R,4S,5R)-3-acetyl-4,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
CID 59097313
(2-acetyloxy-4-fluoro-5-oxooxolan-3-yl) acetate
CID 123880527
[4-(2-oxo-1,3-dioxolan-4-yl)oxetan-2-yl] acetate
CID 139844221
4-(2-hydroxyethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 115064054
[(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate
CID 134856615
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
CID 145149624
5-methyl-3-propan-2-yl-1,3-oxazinan-2-one
CID 156532561
3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one
CID 123819109
2-oxo-3-propan-2-yl-1,3-oxazinane-5-carboxylic acid
CID 83847070

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate?
The IUPAC name of [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate (CID 154236104) is [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate.
What is the SMILES notation for [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate?
The canonical SMILES for [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate is CC(=O)O[C@H]1OC(=O)N(C(C)C)[C@@H]1C.
What is the InChIKey of [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate?
The InChIKey is CQGLVVFTIYKYLU-SVRRBLITSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5(2)10-6(3)8(13-7(4)11)14-9(10)12/h5-6,8H,1-4H3/t6-,8+/m1/s1.
What are the key properties of [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate?
[(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate has a molecular weight of 201.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate is sourced from PubChem (CID 154236104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).