4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one

C21H33NO3Si — CID 23256055

IUPAC4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one
SMILESCC(C)/C=C(\O[Si](C)(C)C(C)(C)C)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C21H33NO3Si/c1-16(2)13-19(25-26(6,7)21(3,4)5)22-18(15-24-20(22)23)14-17-11-9-8-10-12-17/h8-13,16,18H,14-15H2,1-7H3/b19-13-
InChIKeyHFJLCOHHZLQUFF-UYRXBGFRSA-N
MW375.59 g/mol
LogP5.57
Rot. Bonds6

About 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one

4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 23256055) has the molecular formula C21H33NO3Si and a molecular weight of 375.59 g/mol. Its IUPAC name is 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one
PubChem CID23256055
Molecular FormulaC21H33NO3Si
Molecular Weight375.59 g/mol
Exact Mass375.22
IUPAC Name4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one
SMILESCC(C)/C=C(\O[Si](C)(C)C(C)(C)C)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C21H33NO3Si/c1-16(2)13-19(25-26(6,7)21(3,4)5)22-18(15-24-20(22)23)14-17-11-9-8-10-12-17/h8-13,16,18H,14-15H2,1-7H3/b19-13-
InChIKeyHFJLCOHHZLQUFF-UYRXBGFRSA-N
XLogP5.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.59
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one (CID 23256055) is 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one is CC(C)/C=C(\O[Si](C)(C)C(C)(C)C)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is HFJLCOHHZLQUFF-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H33NO3Si/c1-16(2)13-19(25-26(6,7)21(3,4)5)22-18(15-24-20(22)23)14-17-11-9-8-10-12-17/h8-13,16,18H,14-15H2,1-7H3/b19-13-.
What are the key properties of 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 375.59 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23256055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).