3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one

C21H29NO4Si — CID 10596397

IUPAC3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](OCc1ccccc1)[C@@H](C#C[Si](C)(C)C)[C@@H](C)C(=O)N1CCOC1=O
InChIInChI=1S/C21H29NO4Si/c1-16(20(23)22-12-13-25-21(22)24)19(11-14-27(3,4)5)17(2)26-15-18-9-7-6-8-10-18/h6-10,16-17,19H,12-13,15H2,1-5H3/t16-,17+,19+/m1/s1
InChIKeyCPVKIRKTVOAMNH-AOIWGVFYSA-N
MW387.55 g/mol
LogP3.70
Rot. Bonds6

About 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one

3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one (PubChem CID 10596397) has the molecular formula C21H29NO4Si and a molecular weight of 387.55 g/mol. Its IUPAC name is 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one
PubChem CID10596397
Molecular FormulaC21H29NO4Si
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC Name3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](OCc1ccccc1)[C@@H](C#C[Si](C)(C)C)[C@@H](C)C(=O)N1CCOC1=O
InChIInChI=1S/C21H29NO4Si/c1-16(20(23)22-12-13-25-21(22)24)19(11-14-27(3,4)5)17(2)26-15-18-9-7-6-8-10-18/h6-10,16-17,19H,12-13,15H2,1-5H3/t16-,17+,19+/m1/s1
InChIKeyCPVKIRKTVOAMNH-AOIWGVFYSA-N
XLogP3.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10502726
3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
CID 137468469
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
(4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11419224
benzyl (2S)-2-[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]pyrrolidine-1-carboxylate
CID 15894128
2-methyl-3-(1-phenylmethoxyethyl)pent-4-ynoic acid
CID 71346287
benzyl N-[(1R,2R)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)-1-phenylbutyl]carbamate
CID 139117529
dibenzyl 2-[(2S)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)-5-phenylpent-4-ynyl]propanedioate
CID 134943425
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate
CID 18638958
S-[(2R)-2-benzyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197437

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one (CID 10596397) is 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one is C[C@H](OCc1ccccc1)[C@@H](C#C[Si](C)(C)C)[C@@H](C)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one?
The InChIKey is CPVKIRKTVOAMNH-AOIWGVFYSA-N. The full InChI is InChI=1S/C21H29NO4Si/c1-16(20(23)22-12-13-25-21(22)24)19(11-14-27(3,4)5)17(2)26-15-18-9-7-6-8-10-18/h6-10,16-17,19H,12-13,15H2,1-5H3/t16-,17+,19+/m1/s1.
What are the key properties of 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one?
3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one has a molecular weight of 387.55 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10596397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).