(4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one

C16H21NO3 — CID 10612452

IUPAC(4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one
SMILESCCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-3-5-10-15(18)17-14(12-20-16(17)19)11-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3/t14-/m0/s1
InChIKeyMRMYNRJBNYQKLZ-AWEZNQCLSA-N
MW275.35 g/mol
LogP3.16
Rot. Bonds6

About (4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one (PubChem CID 10612452) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one
PubChem CID10612452
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one
SMILESCCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-3-5-10-15(18)17-14(12-20-16(17)19)11-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3/t14-/m0/s1
InChIKeyMRMYNRJBNYQKLZ-AWEZNQCLSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-hexanoyl-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-hexanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one (CID 10612452) is (4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one is CCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one?
The InChIKey is MRMYNRJBNYQKLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-3-5-10-15(18)17-14(12-20-16(17)19)11-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-hexanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10612452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).