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

C12H21NO3 — CID 14939235

IUPAC(4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C12H21NO3/c1-4-5-6-7-11(14)13-10(9(2)3)8-16-12(13)15/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeySCRFQKPDLRKEOM-SNVBAGLBSA-N
MW227.30 g/mol
LogP2.57
Rot. Bonds5

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

(4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 14939235) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID14939235
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C12H21NO3/c1-4-5-6-7-11(14)13-10(9(2)3)8-16-12(13)15/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeySCRFQKPDLRKEOM-SNVBAGLBSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-3-hexanoyl-4-propan-2-yl-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)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 14939235) is (4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCCC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SCRFQKPDLRKEOM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-5-6-7-11(14)13-10(9(2)3)8-16-12(13)15/h9-10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 227.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14939235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).