(4R)-4-(propan-2-yl)-3-propanoyl-1,3-oxazolidin-2-one

• ChemBase ID: 77303
• Molecular Formular: C9H15NO3
• Molecular Mass: 185.2203
• Monoisotopic Mass: 185.10519335
• SMILES: N1(C(=O)CC)[C@@H](COC1=O)C(C)C
• Canonical SMILES: CCC(=O)N1C(=O)OC[C@H]1C(C)C
• InChI: InChI=1S/C9H15NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h6-7H,4-5H2,1-3H3/t7-/m0/s1
• InChIKey: HOWPHXVPNNPSAZ-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-(propan-2-yl)-3-propanoyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4R)-4-isopropyl-3-propanoyl-1,3-oxazolidin-2-one
• Synonyms: (S)-4-Isopropyl-3-propionyloxazolidin-2-one

Database IDs

• MDL Number: MFCD00043401
• PubChem SID: 162042176
• PubChem CID: 643512

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6343683
• LogD (pH = 7.4): 1.6343683
• Log P: 1.6343683
• Molar Refractivity: 46.6244 cm^3
• Polarizability: 18.603695 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant