(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one

C23H35NO4Si — CID 11122599

IUPAC(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C23H35NO4Si/c1-16(2)20(28-29(7,8)23(4,5)6)17(3)21(25)24-19(15-27-22(24)26)14-18-12-10-9-11-13-18/h9-13,17,19-20H,1,14-15H2,2-8H3/t17-,19-,20+/m1/s1
InChIKeyTXZAFRJUIHDZQY-RLLQIKCJSA-N
MW417.62 g/mol
LogP5.18
Rot. Bonds7

About (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11122599) has the molecular formula C23H35NO4Si and a molecular weight of 417.62 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID11122599
Molecular FormulaC23H35NO4Si
Molecular Weight417.62 g/mol
Exact Mass417.23
IUPAC Name(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C23H35NO4Si/c1-16(2)20(28-29(7,8)23(4,5)6)17(3)21(25)24-19(15-27-22(24)26)14-18-12-10-9-11-13-18/h9-13,17,19-20H,1,14-15H2,2-8H3/t17-,19-,20+/m1/s1
InChIKeyTXZAFRJUIHDZQY-RLLQIKCJSA-N
XLogP5.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.62
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one (CID 11122599) is (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one is C=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is TXZAFRJUIHDZQY-RLLQIKCJSA-N. The full InChI is InChI=1S/C23H35NO4Si/c1-16(2)20(28-29(7,8)23(4,5)6)17(3)21(25)24-19(15-27-22(24)26)14-18-12-10-9-11-13-18/h9-13,17,19-20H,1,14-15H2,2-8H3/t17-,19-,20+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 417.62 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11122599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).