(4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one

C19H19NO3 — CID 11220584

IUPAC(4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N([C@@H]2O[C@H]2c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-19(2)16(14-11-7-4-8-12-14)20(18(21)23-19)17-15(22-17)13-9-5-3-6-10-13/h3-12,15-17H,1-2H3/t15-,16-,17+/m0/s1
InChIKeyZRMTUSVZAHDTKK-YESZJQIVSA-N
MW309.37 g/mol
LogP4.06
Rot. Bonds3

About (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one

(4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one (PubChem CID 11220584) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one
PubChem CID11220584
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N([C@@H]2O[C@H]2c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-19(2)16(14-11-7-4-8-12-14)20(18(21)23-19)17-15(22-17)13-9-5-3-6-10-13/h3-12,15-17H,1-2H3/t15-,16-,17+/m0/s1
InChIKeyZRMTUSVZAHDTKK-YESZJQIVSA-N
XLogP4.06
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-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

Mlv 6976
CID 65882
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
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
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
(4R,5S)-3-[3-(Azepan-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one--hydrogen chloride (1/1)
CID 13713368
3-(1-Benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
CID 16124710

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one (CID 11220584) is (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one is CC1(C)OC(=O)N([C@@H]2O[C@H]2c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZRMTUSVZAHDTKK-YESZJQIVSA-N. The full InChI is InChI=1S/C19H19NO3/c1-19(2)16(14-11-7-4-8-12-14)20(18(21)23-19)17-15(22-17)13-9-5-3-6-10-13/h3-12,15-17H,1-2H3/t15-,16-,17+/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one?
(4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-phenyl-3-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11220584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).