[(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate

C20H23NO5S — CID 101156493

IUPAC[(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate
SMILESC[C@H](c1ccccc1)N1C(=O)OC[C@@]1(COS(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C20H23NO5S/c1-16(18-11-7-4-8-12-18)21-19(22)25-14-20(21,15-26-27(2,23)24)13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-,20-/m1/s1
InChIKeyHTVMZCRUCCVKOL-OXQOHEQNSA-N
MW389.47 g/mol
LogP3.16
Rot. Bonds7

About [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate

[(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate (PubChem CID 101156493) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate
PubChem CID101156493
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name[(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate
SMILESC[C@H](c1ccccc1)N1C(=O)OC[C@@]1(COS(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C20H23NO5S/c1-16(18-11-7-4-8-12-18)21-19(22)25-14-20(21,15-26-27(2,23)24)13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-,20-/m1/s1
InChIKeyHTVMZCRUCCVKOL-OXQOHEQNSA-N
XLogP3.16
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate with MolForge

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Related Compounds

(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
(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 134951393
(4R)-3-benzyl-4-phenyl-1,3-oxazolidin-2-one
CID 11357228
phenyl N-benzyloxazolidinone
CID 14091547
5-(Fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one
CID 22757661
(2R,4R)-tert-butyl 2-(3-fluorophenyl)-4-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate
CID 86705001
Tert-butyl 2-(3-fluorophenyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 87110231
tert-butyl (2S)-2-phenyl-4-(trifluoromethylsulfonyloxy)pyrrolidine-1-carboxylate
CID 89298310
(R)-4-((S)-5,5-dimethyl-2-oxo-4-phenyloxazolidin-3-yl)cyclohex-1-en-1-yl trifluoromethanesulfonate
CID 89813763
4-((S)-5,5-dimethyl-2-oxo-4-phenyloxazolidin-3-yl)cyclohex-1-en-1-yl trifluoromethanesulfonate
CID 89814036

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate?
The IUPAC name of [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate (CID 101156493) is [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate.
What is the SMILES notation for [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate?
The canonical SMILES for [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate is C[C@H](c1ccccc1)N1C(=O)OC[C@@]1(COS(C)(=O)=O)Cc1ccccc1.
What is the InChIKey of [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate?
The InChIKey is HTVMZCRUCCVKOL-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-16(18-11-7-4-8-12-18)21-19(22)25-14-20(21,15-26-27(2,23)24)13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-,20-/m1/s1.
What are the key properties of [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate?
[(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate has a molecular weight of 389.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-benzyl-2-oxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-4-yl]methyl methanesulfonate is sourced from PubChem (CID 101156493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).