[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate

C12H15NO3 — CID 15693091

IUPAC[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](c2ccccc2)N(C)O1
InChIInChI=1S/C12H15NO3/c1-9(14)15-12-8-11(13(2)16-12)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12-/m1/s1
InChIKeyQNEUPLHSGVPORE-VXGBXAGGSA-N
MW221.26 g/mol
LogP1.88
Rot. Bonds2

About [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate

[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate (PubChem CID 15693091) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate.

Molecular Properties

Compound Name[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
PubChem CID15693091
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](c2ccccc2)N(C)O1
InChIInChI=1S/C12H15NO3/c1-9(14)15-12-8-11(13(2)16-12)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12-/m1/s1
InChIKeyQNEUPLHSGVPORE-VXGBXAGGSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,5R)-2-methyl-3-phenyl-1,2-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

[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693090
[(4S,6S)-4-hydroxy-6-phenyloxan-2-yl] acetate
CID 134833790
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate
CID 3660797
(5-phenyloxolan-2-yl) acetate
CID 121009133
N-[[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]benzamide
CID 10494166
1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol
CID 101004490
(3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine
CID 23252843
[(2S,3S,4S,6S)-3-acetyloxy-2-methyl-6-phenyloxan-4-yl] acetate
CID 10039969
(1-acetyl-2,3,6-triphenylpiperidin-4-yl) acetate
CID 539205
[(3R,5R)-5-phenyloxolan-3-yl] acetate
CID 90478074
(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate
CID 102406016
(3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 134984155

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate?
The IUPAC name of [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate (CID 15693091) is [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate.
What is the SMILES notation for [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate?
The canonical SMILES for [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate is CC(=O)O[C@H]1C[C@H](c2ccccc2)N(C)O1.
What is the InChIKey of [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate?
The InChIKey is QNEUPLHSGVPORE-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)15-12-8-11(13(2)16-12)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate?
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate has a molecular weight of 221.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate is sourced from PubChem (CID 15693091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).