(4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one

C21H31NO4Si — CID 101069808

IUPAC(4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H31NO4Si/c1-5-12-19(26-27(6-2,7-3)8-4)20(23)22-18(16-25-21(22)24)15-17-13-10-9-11-14-17/h5,9-11,13-14,18-19H,1,6-8,12,15-16H2,2-4H3/t18-,19+/m0/s1
InChIKeySUCZWHOEUNGZDM-RBUKOAKNSA-N
MW389.57 g/mol
LogP4.54
Rot. Bonds10

About (4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 101069808) has the molecular formula C21H31NO4Si and a molecular weight of 389.57 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID101069808
Molecular FormulaC21H31NO4Si
Molecular Weight389.57 g/mol
Exact Mass389.20
IUPAC Name(4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H31NO4Si/c1-5-12-19(26-27(6-2,7-3)8-4)20(23)22-18(16-25-21(22)24)15-17-13-10-9-11-14-17/h5,9-11,13-14,18-19H,1,6-8,12,15-16H2,2-4H3/t18-,19+/m0/s1
InChIKeySUCZWHOEUNGZDM-RBUKOAKNSA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 54.54
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 (4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one (CID 101069808) is (4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one is C=CC[C@@H](O[Si](CC)(CC)CC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is SUCZWHOEUNGZDM-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H31NO4Si/c1-5-12-19(26-27(6-2,7-3)8-4)20(23)22-18(16-25-21(22)24)15-17-13-10-9-11-14-17/h5,9-11,13-14,18-19H,1,6-8,12,15-16H2,2-4H3/t18-,19+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 389.57 g/mol, XLogP of 4.54, 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-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101069808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).