(4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one

C16H19NO3 — CID 24741386

IUPAC(4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H19NO3/c1-4-8-14(18)17-13(16(2,3)20-15(17)19)11-12-9-6-5-7-10-12/h4-10,13H,11H2,1-3H3/b8-4+/t13-/m0/s1
InChIKeyDEIJUFPKYAKBOK-GBVBUYCNSA-N
MW273.33 g/mol
LogP2.93
Rot. Bonds3

About (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 24741386) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID24741386
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H19NO3/c1-4-8-14(18)17-13(16(2,3)20-15(17)19)11-12-9-6-5-7-10-12/h4-10,13H,11H2,1-3H3/b8-4+/t13-/m0/s1
InChIKeyDEIJUFPKYAKBOK-GBVBUYCNSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-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)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 24741386) is (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one is C/C=C/C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is DEIJUFPKYAKBOK-GBVBUYCNSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-8-14(18)17-13(16(2,3)20-15(17)19)11-12-9-6-5-7-10-12/h4-10,13H,11H2,1-3H3/b8-4+/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-but-2-enoyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24741386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).