3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C28H28N2O4 — CID 18608249

IUPAC3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cccc(CC[C@@H]2[C@H](N3C(=O)OCC3c3ccccc3)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C28H28N2O4/c1-33-23-14-8-11-20(17-23)15-16-24-26(27(31)29(24)18-21-9-4-2-5-10-21)30-25(19-34-28(30)32)22-12-6-3-7-13-22/h2-14,17,24-26H,15-16,18-19H2,1H3/t24-,25?,26+/m1/s1
InChIKeyIVVBKHTVYFESBG-ITNFAHLUSA-N
MW456.54 g/mol
LogP4.60
Rot. Bonds8

About 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 18608249) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID18608249
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cccc(CC[C@@H]2[C@H](N3C(=O)OCC3c3ccccc3)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C28H28N2O4/c1-33-23-14-8-11-20(17-23)15-16-24-26(27(31)29(24)18-21-9-4-2-5-10-21)30-25(19-34-28(30)32)22-12-6-3-7-13-22/h2-14,17,24-26H,15-16,18-19H2,1H3/t24-,25?,26+/m1/s1
InChIKeyIVVBKHTVYFESBG-ITNFAHLUSA-N
XLogP4.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-benzyl-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14314974
(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14281572
(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11689154
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
(4S)-3-[(3-methoxyphenyl)methyl]-4-[methyl(2-phenylethyl)amino]-1,3-oxazolidin-2-one
CID 101347940
3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
(4S)-3-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10552752
(4S)-3-[(2S,3S)-1-benzyl-2-(hydroxymethyl)-2-methyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10761399
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 23251083
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 18608249) is 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is COc1cccc(CC[C@@H]2[C@H](N3C(=O)OCC3c3ccccc3)C(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IVVBKHTVYFESBG-ITNFAHLUSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-33-23-14-8-11-20(17-23)15-16-24-26(27(31)29(24)18-21-9-4-2-5-10-21)30-25(19-34-28(30)32)22-12-6-3-7-13-22/h2-14,17,24-26H,15-16,18-19H2,1H3/t24-,25?,26+/m1/s1.
What are the key properties of 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 456.54 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 18608249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).