(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one

C30H35NO3Si — CID 15038414

IUPAC(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C30H35NO3Si/c1-5-15-27-28(34-29(32)31(27)22-24-16-9-6-10-17-24)23-33-35(30(2,3)4,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h5-14,16-21,27-28H,1,15,22-23H2,2-4H3/t27-,28+/m0/s1
InChIKeyZXCWEIKOSQYUKM-WUFINQPMSA-N
MW485.70 g/mol
LogP5.53
Rot. Bonds9

About (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one

(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 15038414) has the molecular formula C30H35NO3Si and a molecular weight of 485.70 g/mol. Its IUPAC name is (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID15038414
Molecular FormulaC30H35NO3Si
Molecular Weight485.70 g/mol
Exact Mass485.24
IUPAC Name(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C30H35NO3Si/c1-5-15-27-28(34-29(32)31(27)22-24-16-9-6-10-17-24)23-33-35(30(2,3)4,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h5-14,16-21,27-28H,1,15,22-23H2,2-4H3/t27-,28+/m0/s1
InChIKeyZXCWEIKOSQYUKM-WUFINQPMSA-N
XLogP5.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.70
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-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)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 15441175
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
CID 134880347
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396
tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
CID 11327994
(3R,5R,6S)-1-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-3-prop-2-enylpiperazin-2-one
CID 11538939
(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
CID 140966529
(2S,3R,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-2-prop-2-enoxyoxane-3,4-diol
CID 140966523
(3S,4R,5R)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-phenylsulfanyl-4-prop-2-enyloxolan-2-one
CID 44580071
N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide
CID 11518669
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 15038414) is (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is ZXCWEIKOSQYUKM-WUFINQPMSA-N. The full InChI is InChI=1S/C30H35NO3Si/c1-5-15-27-28(34-29(32)31(27)22-24-16-9-6-10-17-24)23-33-35(30(2,3)4,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h5-14,16-21,27-28H,1,15,22-23H2,2-4H3/t27-,28+/m0/s1.
What are the key properties of (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 485.70 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15038414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).