(4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C18H17NO3 — CID 101240007

IUPAC(4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@]1(c2ccccc2)O[C@H]1N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-18(14-10-6-3-7-11-14)16(22-18)19-15(12-21-17(19)20)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16-,18-/m1/s1
InChIKeyHEUBQIWFKXFFTM-JFIYKMOQSA-N
MW295.34 g/mol
LogP3.45
Rot. Bonds3

About (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101240007) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101240007
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@]1(c2ccccc2)O[C@H]1N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-18(14-10-6-3-7-11-14)16(22-18)19-15(12-21-17(19)20)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16-,18-/m1/s1
InChIKeyHEUBQIWFKXFFTM-JFIYKMOQSA-N
XLogP3.45
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

[1-((3S,4S)-1-Benzyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester
CID 490012
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
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
3-(1-Benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
CID 16124710
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 101240007) is (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one is C[C@]1(c2ccccc2)O[C@H]1N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HEUBQIWFKXFFTM-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H17NO3/c1-18(14-10-6-3-7-11-14)16(22-18)19-15(12-21-17(19)20)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16-,18-/m1/s1.
What are the key properties of (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3R)-3-methyl-3-phenyloxiran-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101240007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).