(4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C27H34FNO4Si — CID 67991559

IUPAC(4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(CC/C(=C/CCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1)[Si](C)(C)O
InChIInChI=1S/C27H34FNO4Si/c1-27(2,34(3,4)32)18-17-20(21-13-15-23(28)16-14-21)11-8-12-25(30)29-24(19-33-26(29)31)22-9-6-5-7-10-22/h5-7,9-11,13-16,24,32H,8,12,17-19H2,1-4H3/b20-11-/t24-/m1/s1
InChIKeyAZFMURCRRQRAMW-IKQKUKBPSA-N
MW483.66 g/mol
LogP6.47
Rot. Bonds9

About (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 67991559) has the molecular formula C27H34FNO4Si and a molecular weight of 483.66 g/mol. Its IUPAC name is (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID67991559
Molecular FormulaC27H34FNO4Si
Molecular Weight483.66 g/mol
Exact Mass483.22
IUPAC Name(4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(CC/C(=C/CCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1)[Si](C)(C)O
InChIInChI=1S/C27H34FNO4Si/c1-27(2,34(3,4)32)18-17-20(21-13-15-23(28)16-14-21)11-8-12-25(30)29-24(19-33-26(29)31)22-9-6-5-7-10-22/h5-7,9-11,13-16,24,32H,8,12,17-19H2,1-4H3/b20-11-/t24-/m1/s1
InChIKeyAZFMURCRRQRAMW-IKQKUKBPSA-N
XLogP6.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259947
3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259946
dichloromethane;1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
CID 174975371
(4S)-3-[(5E)-5-(4-fluorophenyl)-5-methoxyiminopentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 46932815
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane
CID 144871050
[4-[(3R)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)-6-[hydroxy(dimethyl)silyl]-6-methylhept-2-enyl]-4-oxoazetidin-2-yl]phenyl] benzoate
CID 67991560
(4S)-3-[(3R)-3-(4-fluorophenyl)-3-(4-methoxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 118374214
4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
CID 144785898

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 67991559) is (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)(CC/C(=C/CCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1)[Si](C)(C)O.
What is the InChIKey of (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is AZFMURCRRQRAMW-IKQKUKBPSA-N. The full InChI is InChI=1S/C27H34FNO4Si/c1-27(2,34(3,4)32)18-17-20(21-13-15-23(28)16-14-21)11-8-12-25(30)29-24(19-33-26(29)31)22-9-6-5-7-10-22/h5-7,9-11,13-16,24,32H,8,12,17-19H2,1-4H3/b20-11-/t24-/m1/s1.
What are the key properties of (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 483.66 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67991559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).