3-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one

• ChemBase ID: 361036
• Molecular Formular: C11H15N3O2
• Molecular Mass: 221.2557
• Monoisotopic Mass: 221.11642674
• SMILES: c1(n(ccn1)CCN1C(=O)OCC1)C1CC1
• Canonical SMILES: O=C1OCCN1CCn1ccnc1C1CC1
• InChI: InChI=1S/C11H15N3O2/c15-11-14(7-8-16-11)6-5-13-4-3-12-10(13)9-1-2-9/h3-4,9H,1-2,5-8H2
• InChIKey: ZRSAKIWARMIGOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1,3-oxazolidin-2-one
• Synonyms: 3-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.28308296
• LogD (pH = 7.4): 0.53420734
• Log P: 0.6746179
• Molar Refractivity: 57.6943 cm^3
• Polarizability: 22.284067 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.06
• LOG S: -2.07
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 4