(4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C25H31NO4Si — CID 11419224

IUPAC(4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H](OCc1ccccc1)[C@@H](O)[C@@H](C#C[Si](C)(C)C)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C25H31NO4Si/c1-19(29-17-20-11-7-5-8-12-20)24(27)22(15-16-31(2,3)4)26-23(18-30-25(26)28)21-13-9-6-10-14-21/h5-14,19,22-24,27H,17-18H2,1-4H3/t19-,22+,23-,24+/m0/s1
InChIKeyHTWVDPRJSKATCV-GMHONNGPSA-N
MW437.61 g/mol
LogP4.40
Rot. Bonds7

About (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11419224) has the molecular formula C25H31NO4Si and a molecular weight of 437.61 g/mol. Its IUPAC name is (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11419224
Molecular FormulaC25H31NO4Si
Molecular Weight437.61 g/mol
Exact Mass437.20
IUPAC Name(4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H](OCc1ccccc1)[C@@H](O)[C@@H](C#C[Si](C)(C)C)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C25H31NO4Si/c1-19(29-17-20-11-7-5-8-12-20)24(27)22(15-16-31(2,3)4)26-23(18-30-25(26)28)21-13-9-6-10-14-21/h5-14,19,22-24,27H,17-18H2,1-4H3/t19-,22+,23-,24+/m0/s1
InChIKeyHTWVDPRJSKATCV-GMHONNGPSA-N
XLogP4.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
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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Launch Full Analysis

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
(4R)-4-phenyl-3-[(1S)-1-trimethylsilyloxyethyl]-1,3-oxazolidin-2-one
CID 134936571
3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one
CID 10596397
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
1-O-benzyl 5-O-methyl 2-acetyl-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanedioate
CID 90662562
(4R)-3-[(2S)-1-nitropropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 100948483
(4S)-3-[(2S,3R)-3-hydroxy-2-methyl-6-phenylmethoxyhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102386100
(4R)-3-[(2S,3R)-3-nitro-5-phenylpentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 102304511
(4R)-3-[(E)-3-hydroxybut-1-enyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10922425
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one
CID 11809413

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 11419224) is (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one is C[C@H](OCc1ccccc1)[C@@H](O)[C@@H](C#C[Si](C)(C)C)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HTWVDPRJSKATCV-GMHONNGPSA-N. The full InChI is InChI=1S/C25H31NO4Si/c1-19(29-17-20-11-7-5-8-12-20)24(27)22(15-16-31(2,3)4)26-23(18-30-25(26)28)21-13-9-6-10-14-21/h5-14,19,22-24,27H,17-18H2,1-4H3/t19-,22+,23-,24+/m0/s1.
What are the key properties of (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 437.61 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11419224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).