benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate

C20H21NO4S — CID 10992327

IUPACbenzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCSCC[C@@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO4S/c1-26-13-12-17-19(22)25-18(16-10-6-3-7-11-16)21(17)20(23)24-14-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3/t17-,18-/m1/s1
InChIKeyXHXWUADHWPELSN-QZTJIDSGSA-N
MW371.46 g/mol
LogP4.00
Rot. Bonds6

About benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate

benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10992327) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID10992327
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Namebenzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCSCC[C@@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO4S/c1-26-13-12-17-19(22)25-18(16-10-6-3-7-11-16)21(17)20(23)24-14-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3/t17-,18-/m1/s1
InChIKeyXHXWUADHWPELSN-QZTJIDSGSA-N
XLogP4.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate 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

Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(S)-Benzyl 2-(((S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carboxylate
CID 3008180
Ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate
CID 44593203
(4R,5S)-3-[3-(1,3-dithian-2-ylidene)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10089183
Benzyl 4-(morpholine-4-carbonyl)thiazolidine-3-carboxylate
CID 6481458
(5S)-3,4,5,6-Tetrahydro-5-phenyl-N-(benzyloxycarbonyl)-4(H)-1,4-oxazin-2-one
CID 10064027
(4S)-3-Benzyloxycarbonyl-4-phenylmethyl-5-oxooxazolidine
CID 819481
Benzyl 4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 2829564
benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10362761
(2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
CID 10638764
benzyl (2S,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10757398
Phenylmethyl (2R,4S)-5-oxo-2,4-diphenyl-3-oxazolidinecarboxylate
CID 10861658

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate (CID 10992327) is benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate is CSCC[C@@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is XHXWUADHWPELSN-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-26-13-12-17-19(22)25-18(16-10-6-3-7-11-16)21(17)20(23)24-14-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate?
benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4R)-4-(2-methylsulfanylethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10992327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).