(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one

C24H37NO3Si — CID 59254821

IUPAC(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C24H37NO3Si/c1-18(2)21-24(20-14-11-15-20,17-27-29(6,7)23(3,4)5)25(22(26)28-21)16-19-12-9-8-10-13-19/h8-10,12-13,20-21H,1,11,14-17H2,2-7H3/t21-,24-/m1/s1
InChIKeyDIFLUSHVMNVRQA-ZJSXRUAMSA-N
MW415.65 g/mol
LogP6.14
Rot. Bonds7

About (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one

(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one (PubChem CID 59254821) has the molecular formula C24H37NO3Si and a molecular weight of 415.65 g/mol. Its IUPAC name is (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
PubChem CID59254821
Molecular FormulaC24H37NO3Si
Molecular Weight415.65 g/mol
Exact Mass415.25
IUPAC Name(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C24H37NO3Si/c1-18(2)21-24(20-14-11-15-20,17-27-29(6,7)23(3,4)5)25(22(26)28-21)16-19-12-9-8-10-13-19/h8-10,12-13,20-21H,1,11,14-17H2,2-7H3/t21-,24-/m1/s1
InChIKeyDIFLUSHVMNVRQA-ZJSXRUAMSA-N
XLogP6.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.65
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one (CID 59254821) is (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one is C=C(C)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1.
What is the InChIKey of (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DIFLUSHVMNVRQA-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H37NO3Si/c1-18(2)21-24(20-14-11-15-20,17-27-29(6,7)23(3,4)5)25(22(26)28-21)16-19-12-9-8-10-13-19/h8-10,12-13,20-21H,1,11,14-17H2,2-7H3/t21-,24-/m1/s1.
What are the key properties of (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one has a molecular weight of 415.65 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59254821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).