(4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C26H33FN2O4Si — CID 21356164

IUPAC(4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)/C(F)=C/c1ccccn1
InChIInChI=1S/C26H33FN2O4Si/c1-18-24(19-12-8-7-9-13-19)32-25(31)29(18)23(30)17-22(33-34(5,6)26(2,3)4)21(27)16-20-14-10-11-15-28-20/h7-16,18,22,24H,17H2,1-6H3/b21-16-/t18-,22-,24-/m0/s1
InChIKeyRSTZTGAFVUCUNV-LXASJJHUSA-N
MW484.64 g/mol
LogP6.28
Rot. Bonds7

About (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 21356164) has the molecular formula C26H33FN2O4Si and a molecular weight of 484.64 g/mol. Its IUPAC name is (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID21356164
Molecular FormulaC26H33FN2O4Si
Molecular Weight484.64 g/mol
Exact Mass484.22
IUPAC Name(4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)/C(F)=C/c1ccccn1
InChIInChI=1S/C26H33FN2O4Si/c1-18-24(19-12-8-7-9-13-19)32-25(31)29(18)23(30)17-22(33-34(5,6)26(2,3)4)21(27)16-20-14-10-11-15-28-20/h7-16,18,22,24H,17H2,1-6H3/b21-16-/t18-,22-,24-/m0/s1
InChIKeyRSTZTGAFVUCUNV-LXASJJHUSA-N
XLogP6.28
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 21356164) is (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)/C(F)=C/c1ccccn1.
What is the InChIKey of (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RSTZTGAFVUCUNV-LXASJJHUSA-N. The full InChI is InChI=1S/C26H33FN2O4Si/c1-18-24(19-12-8-7-9-13-19)32-25(31)29(18)23(30)17-22(33-34(5,6)26(2,3)4)21(27)16-20-14-10-11-15-28-20/h7-16,18,22,24H,17H2,1-6H3/b21-16-/t18-,22-,24-/m0/s1.
What are the key properties of (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 484.64 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-pyridin-2-ylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 21356164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).