(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C27H36N2O4Si — CID 14281572

IUPAC(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H36N2O4Si/c1-27(2,3)34(4,5)33-17-16-22-24(25(30)28(22)18-20-12-8-6-9-13-20)29-23(19-32-26(29)31)21-14-10-7-11-15-21/h6-15,22-24H,16-19H2,1-5H3/t22-,23-,24+/m1/s1
InChIKeyIUALRQUGEYUUPB-SMIHKQSGSA-N
MW480.68 g/mol
LogP5.37
Rot. Bonds8

About (4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 14281572) has the molecular formula C27H36N2O4Si and a molecular weight of 480.68 g/mol. Its IUPAC name is (4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID14281572
Molecular FormulaC27H36N2O4Si
Molecular Weight480.68 g/mol
Exact Mass480.24
IUPAC Name(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H36N2O4Si/c1-27(2,3)34(4,5)33-17-16-22-24(25(30)28(22)18-20-12-8-6-9-13-20)29-23(19-32-26(29)31)21-14-10-7-11-15-21/h6-15,22-24H,16-19H2,1-5H3/t22-,23-,24+/m1/s1
InChIKeyIUALRQUGEYUUPB-SMIHKQSGSA-N
XLogP5.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.68
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (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) is (4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCC[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IUALRQUGEYUUPB-SMIHKQSGSA-N. The full InChI is InChI=1S/C27H36N2O4Si/c1-27(2,3)34(4,5)33-17-16-22-24(25(30)28(22)18-20-12-8-6-9-13-20)29-23(19-32-26(29)31)21-14-10-7-11-15-21/h6-15,22-24H,16-19H2,1-5H3/t22-,23-,24+/m1/s1.
What are the key properties of (4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 480.68 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14281572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).