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

C29H40N2O4Si — CID 10625477

IUPAC(4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1[C@H]1C(=O)N(Cc2ccccc2)[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C29H40N2O4Si/c1-20(2)23-19-34-28(33)31(23)25-24(30(27(25)32)18-21-14-10-8-11-15-21)26(22-16-12-9-13-17-22)35-36(6,7)29(3,4)5/h8-17,20,23-26H,18-19H2,1-7H3/t23-,24-,25-,26-/m1/s1
InChIKeyUDBKYGUIVVFOSH-VEYUFSJPSA-N
MW508.74 g/mol
LogP6.01
Rot. Bonds8

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

(4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10625477) has the molecular formula C29H40N2O4Si and a molecular weight of 508.74 g/mol. Its IUPAC name is (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10625477
Molecular FormulaC29H40N2O4Si
Molecular Weight508.74 g/mol
Exact Mass508.28
IUPAC Name(4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1[C@H]1C(=O)N(Cc2ccccc2)[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C29H40N2O4Si/c1-20(2)23-19-34-28(33)31(23)25-24(30(27(25)32)18-21-14-10-8-11-15-21)26(22-16-12-9-13-17-22)35-36(6,7)29(3,4)5/h8-17,20,23-26H,18-19H2,1-7H3/t23-,24-,25-,26-/m1/s1
InChIKeyUDBKYGUIVVFOSH-VEYUFSJPSA-N
XLogP6.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.74
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-benzyl 4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanoate
CID 44428420
(4S)-3-[(3R)-1-[bis(trimethylsilyl)methyl]-3-ethyl-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 15511544
(4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 15511548
(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 101366356
3-[5-(tert-Butyldimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]4-phenyloxazolidin-2-one
CID 12111618
3-[5-[Dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 58811472
(4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59839610
(4S)-3-[(5S)-5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-2-oxazolidinone
CID 70963068
(2S)-4-methyl-2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]pentanoyl fluoride
CID 173201275
(4S)-3-[(3S)-1-[bis-(trimethylsilyl)-methyl]-2,2-dimethyl-4-oxo-azetidin-3-yl]-4-phenyl-oxazolidin-2-one
CID 11796311
(4S)-3-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-tert-butyl-1,3-oxazolidin-2-one
CID 10527971
(4S)-3-[(2S,3S)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10765809

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10625477) is (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1[C@H]1C(=O)N(Cc2ccccc2)[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is UDBKYGUIVVFOSH-VEYUFSJPSA-N. The full InChI is InChI=1S/C29H40N2O4Si/c1-20(2)23-19-34-28(33)31(23)25-24(30(27(25)32)18-21-14-10-8-11-15-21)26(22-16-12-9-13-17-22)35-36(6,7)29(3,4)5/h8-17,20,23-26H,18-19H2,1-7H3/t23-,24-,25-,26-/m1/s1.
What are the key properties of (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 508.74 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3R)-1-benzyl-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10625477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).