(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one

C27H29NO2Si — CID 42604161

IUPAC(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(Cc1ccccc1)[C@H]1C[C@@H]1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C27H29NO2Si/c1-31(2,19-20-12-6-3-7-13-20)24-18-23(24)28-25(21-14-8-4-9-15-21)26(30-27(28)29)22-16-10-5-11-17-22/h3-17,23-26H,18-19H2,1-2H3/t23-,24-,25+,26-/m0/s1
InChIKeyCSXNGJQJOBAMDY-SSUZURRFSA-N
MW427.62 g/mol
LogP6.55
Rot. Bonds6

About (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 42604161) has the molecular formula C27H29NO2Si and a molecular weight of 427.62 g/mol. Its IUPAC name is (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID42604161
Molecular FormulaC27H29NO2Si
Molecular Weight427.62 g/mol
Exact Mass427.20
IUPAC Name(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(Cc1ccccc1)[C@H]1C[C@@H]1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C27H29NO2Si/c1-31(2,19-20-12-6-3-7-13-20)24-18-23(24)28-25(21-14-8-4-9-15-21)26(30-27(28)29)22-16-10-5-11-17-22/h3-17,23-26H,18-19H2,1-2H3/t23-,24-,25+,26-/m0/s1
InChIKeyCSXNGJQJOBAMDY-SSUZURRFSA-N
XLogP6.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.62
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 14919305
(4R,5S)-3-[(1R,2R,3S)-3-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10813140
(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101047352
(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101055653
(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
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
[4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-2-yl]methyl methanesulfonate
CID 88772076
[(2R,4R,5S)-5-ethoxy-4-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 102317805
(4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101138120
(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
CID 54194620
methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11442337
(4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 15505443

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 42604161) is (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one is C[Si](C)(Cc1ccccc1)[C@H]1C[C@@H]1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is CSXNGJQJOBAMDY-SSUZURRFSA-N. The full InChI is InChI=1S/C27H29NO2Si/c1-31(2,19-20-12-6-3-7-13-20)24-18-23(24)28-25(21-14-8-4-9-15-21)26(30-27(28)29)22-16-10-5-11-17-22/h3-17,23-26H,18-19H2,1-2H3/t23-,24-,25+,26-/m0/s1.
What are the key properties of (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 427.62 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 42604161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).