(4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

C31H34INO4Si — CID 101427274

IUPAC(4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](OCc1ccccc1)[C@@H]1O[C@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)C(I)=C1[Si](C)(C)C
InChIInChI=1S/C31H34INO4Si/c1-21(35-20-22-14-8-5-9-15-22)27-29(38(2,3)4)25(32)30(36-27)33-26(23-16-10-6-11-17-23)28(37-31(33)34)24-18-12-7-13-19-24/h5-19,21,26-28,30H,20H2,1-4H3/t21-,26+,27+,28-,30+/m1/s1
InChIKeyMZYNWQRUGHYWKG-UAVBNKATSA-N
MW639.61 g/mol
LogP7.82
Rot. Bonds8

About (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 101427274) has the molecular formula C31H34INO4Si and a molecular weight of 639.61 g/mol. Its IUPAC name is (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID101427274
Molecular FormulaC31H34INO4Si
Molecular Weight639.61 g/mol
Exact Mass639.13
IUPAC Name(4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](OCc1ccccc1)[C@@H]1O[C@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)C(I)=C1[Si](C)(C)C
InChIInChI=1S/C31H34INO4Si/c1-21(35-20-22-14-8-5-9-15-22)27-29(38(2,3)4)25(32)30(36-27)33-26(23-16-10-6-11-17-23)28(37-31(33)34)24-18-12-7-13-19-24/h5-19,21,26-28,30H,20H2,1-4H3/t21-,26+,27+,28-,30+/m1/s1
InChIKeyMZYNWQRUGHYWKG-UAVBNKATSA-N
XLogP7.82
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.61
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 42604161
(2S,5S)-2-[(1S)-1-phenylmethoxyethyl]-5-propan-2-yloxolan-3-one
CID 15360166
(4R,5S)-3-[(1R,2R,3S)-3-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10813140
(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101055653
(4R,5S)-3-[(1R,4R,5R,6R)-4-methoxy-2-oxo-4-propyl-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101029523
(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 14919305
benzyl (3S,5S,6R)-3-(4-iodobutyl)-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11365118
(3R,3aS,6aS)-1-benzyl-3-[(1S)-1-phenylmethoxyethyl]-3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazol-6-one
CID 14660685
(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101047352
(4R)-2-methyl-4-[(1S)-1-phenylmethoxyethyl]-4H-1,3-oxazol-5-one
CID 11770354
benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate
CID 10973421
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 101427274) is (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is C[C@@H](OCc1ccccc1)[C@@H]1O[C@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)C(I)=C1[Si](C)(C)C.
What is the InChIKey of (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is MZYNWQRUGHYWKG-UAVBNKATSA-N. The full InChI is InChI=1S/C31H34INO4Si/c1-21(35-20-22-14-8-5-9-15-22)27-29(38(2,3)4)25(32)30(36-27)33-26(23-16-10-6-11-17-23)28(37-31(33)34)24-18-12-7-13-19-24/h5-19,21,26-28,30H,20H2,1-4H3/t21-,26+,27+,28-,30+/m1/s1.
What are the key properties of (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 639.61 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(2S,5S)-3-iodo-5-[(1R)-1-phenylmethoxyethyl]-4-trimethylsilyl-2,5-dihydrofuran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101427274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).