(4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one

C24H37NO4Si — CID 11553780

IUPAC(4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[Si](OCC/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C24H37NO4Si/c1-18(2)30(19(3)4,20(5)6)29-15-11-10-14-23(26)25-22(17-28-24(25)27)16-21-12-8-7-9-13-21/h7-10,12-14,18-20,22H,11,15-17H2,1-6H3/b14-10+/t22-/m0/s1
InChIKeyADODMXFDZUYOLC-GWECRGSCSA-N
MW431.65 g/mol
LogP5.71
Rot. Bonds10

About (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11553780) has the molecular formula C24H37NO4Si and a molecular weight of 431.65 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID11553780
Molecular FormulaC24H37NO4Si
Molecular Weight431.65 g/mol
Exact Mass431.25
IUPAC Name(4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[Si](OCC/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C24H37NO4Si/c1-18(2)30(19(3)4,20(5)6)29-15-11-10-14-23(26)25-22(17-28-24(25)27)16-21-12-8-7-9-13-21/h7-10,12-14,18-20,22H,11,15-17H2,1-6H3/b14-10+/t22-/m0/s1
InChIKeyADODMXFDZUYOLC-GWECRGSCSA-N
XLogP5.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.65
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one (CID 11553780) is (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one is CC(C)[Si](OCC/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is ADODMXFDZUYOLC-GWECRGSCSA-N. The full InChI is InChI=1S/C24H37NO4Si/c1-18(2)30(19(3)4,20(5)6)29-15-11-10-14-23(26)25-22(17-28-24(25)27)16-21-12-8-7-9-13-21/h7-10,12-14,18-20,22H,11,15-17H2,1-6H3/b14-10+/t22-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 431.65 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11553780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).