ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate

C20H21NO4 — CID 134907680

IUPACethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1C([C@@H]2O[C@@H]2c2ccccc2)OC[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-2-23-20(22)21-16(14-9-5-3-6-10-14)13-24-19(21)18-17(25-18)15-11-7-4-8-12-15/h3-12,16-19H,2,13H2,1H3/t16-,17+,18+,19?/m0/s1
InChIKeyODRYYNHTUAOIRW-JCIRIWACSA-N
MW339.39 g/mol
LogP3.68
Rot. Bonds4

About ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate

ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate (PubChem CID 134907680) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate
PubChem CID134907680
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Nameethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1C([C@@H]2O[C@@H]2c2ccccc2)OC[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-2-23-20(22)21-16(14-9-5-3-6-10-14)13-24-19(21)18-17(25-18)15-11-7-4-8-12-15/h3-12,16-19H,2,13H2,1H3/t16-,17+,18+,19?/m0/s1
InChIKeyODRYYNHTUAOIRW-JCIRIWACSA-N
XLogP3.68
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
Ephedroxane
CID 161171
US9611232, Example 32
CID 90134544
1-Benzyl-2-methyl-3-phenylpyrrolidin-3-yl propanoate
CID 21149919
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate (CID 134907680) is ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate is CCOC(=O)N1C([C@@H]2O[C@@H]2c2ccccc2)OC[C@H]1c1ccccc1.
What is the InChIKey of ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is ODRYYNHTUAOIRW-JCIRIWACSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-23-20(22)21-16(14-9-5-3-6-10-14)13-24-19(21)18-17(25-18)15-11-7-4-8-12-15/h3-12,16-19H,2,13H2,1H3/t16-,17+,18+,19?/m0/s1.
What are the key properties of ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate?
ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-phenyl-2-[(2R,3R)-3-phenyloxiran-2-yl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134907680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).