(4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one

C28H40N2O3Si — CID 140703040

IUPAC(4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)O[C@](C)([C@@H](CC)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[C@@H](C)N
InChIInChI=1S/C28H40N2O3Si/c1-8-20-30-25(21(3)29)28(7,32-26(30)31)24(9-2)33-34(27(4,5)6,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h8,10-19,21,24-25H,1,9,20,29H2,2-7H3/t21-,24-,25-,28-/m1/s1
InChIKeyZIHKBYWWPMWAEX-VGSCBBJJSA-N
MW480.73 g/mol
LogP4.45
Rot. Bonds9

About (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one

(4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 140703040) has the molecular formula C28H40N2O3Si and a molecular weight of 480.73 g/mol. Its IUPAC name is (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID140703040
Molecular FormulaC28H40N2O3Si
Molecular Weight480.73 g/mol
Exact Mass480.28
IUPAC Name(4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)O[C@](C)([C@@H](CC)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[C@@H](C)N
InChIInChI=1S/C28H40N2O3Si/c1-8-20-30-25(21(3)29)28(7,32-26(30)31)24(9-2)33-34(27(4,5)6,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h8,10-19,21,24-25H,1,9,20,29H2,2-7H3/t21-,24-,25-,28-/m1/s1
InChIKeyZIHKBYWWPMWAEX-VGSCBBJJSA-N
XLogP4.45
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.73
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one 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

(4S,5S)-4-acetyl-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-1,3-oxazolidin-2-one
CID 140702964
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
CID 11175995
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(3aS,6S,6aS)-6-[(1S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 25227816
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15038414
methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate
CID 101189039
(4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139049588
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 15441175
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 140703040) is (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1C(=O)O[C@](C)([C@@H](CC)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[C@@H](C)N.
What is the InChIKey of (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is ZIHKBYWWPMWAEX-VGSCBBJJSA-N. The full InChI is InChI=1S/C28H40N2O3Si/c1-8-20-30-25(21(3)29)28(7,32-26(30)31)24(9-2)33-34(27(4,5)6,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h8,10-19,21,24-25H,1,9,20,29H2,2-7H3/t21-,24-,25-,28-/m1/s1.
What are the key properties of (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
(4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 480.73 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 140703040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).