(4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one

C25H33NO4Si — CID 101336946

IUPAC(4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@@H](C=C=CN1C(=O)OC[C@@H]1c1ccccc1)CCc1ccco1
InChIInChI=1S/C25H33NO4Si/c1-4-31(5-2,6-3)30-23(17-16-22-15-11-19-28-22)14-10-18-26-24(20-29-25(26)27)21-12-8-7-9-13-21/h7-9,11-15,18-19,23-24H,4-6,16-17,20H2,1-3H3/t10?,23-,24+/m0/s1
InChIKeyWPWLVPCBLCKCOO-FMTYKBTPSA-N
MW439.63 g/mol
LogP6.46
Rot. Bonds11

About (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101336946) has the molecular formula C25H33NO4Si and a molecular weight of 439.63 g/mol. Its IUPAC name is (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101336946
Molecular FormulaC25H33NO4Si
Molecular Weight439.63 g/mol
Exact Mass439.22
IUPAC Name(4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@@H](C=C=CN1C(=O)OC[C@@H]1c1ccccc1)CCc1ccco1
InChIInChI=1S/C25H33NO4Si/c1-4-31(5-2,6-3)30-23(17-16-22-15-11-19-28-22)14-10-18-26-24(20-29-25(26)27)21-12-8-7-9-13-21/h7-9,11-15,18-19,23-24H,4-6,16-17,20H2,1-3H3/t10?,23-,24+/m0/s1
InChIKeyWPWLVPCBLCKCOO-FMTYKBTPSA-N
XLogP6.46
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.63
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10420408
(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 11588253
(4R)-4-phenyl-3-[(1S)-1-trimethylsilyloxyethyl]-1,3-oxazolidin-2-one
CID 134936571
(4R)-3-[(E)-3-hydroxybut-1-enyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10922425
3-[1-benzyl-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14314974
methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate
CID 70072667
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
3-[(Z)-[3-butyl-2-(1-phenylpentyl)inden-1-ylidene]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102133236
(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 23251083
(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one
CID 11809413
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10984384

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one (CID 101336946) is (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@@H](C=C=CN1C(=O)OC[C@@H]1c1ccccc1)CCc1ccco1.
What is the InChIKey of (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WPWLVPCBLCKCOO-FMTYKBTPSA-N. The full InChI is InChI=1S/C25H33NO4Si/c1-4-31(5-2,6-3)30-23(17-16-22-15-11-19-28-22)14-10-18-26-24(20-29-25(26)27)21-12-8-7-9-13-21/h7-9,11-15,18-19,23-24H,4-6,16-17,20H2,1-3H3/t10?,23-,24+/m0/s1.
What are the key properties of (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 439.63 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101336946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).