5-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-3-(2-methylpropyl)-1,2-oxazole

• ChemBase ID: 865678
• Molecular Formular: C17H19ClN2O3
• Molecular Mass: 334.79736
• Monoisotopic Mass: 334.10842016
• SMILES: c1(C(=O)N2CC(C2)Oc2c(Cl)cccc2)cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)C(=O)N1CC(C1)Oc1ccccc1Cl)C
• InChI: InChI=1S/C17H19ClN2O3/c1-11(2)7-12-8-16(23-19-12)17(21)20-9-13(10-20)22-15-6-4-3-5-14(15)18/h3-6,8,11,13H,7,9-10H2,1-2H3
• InChIKey: XODRZYQHWQBDEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-3-(2-methylpropyl)-1,2-oxazole
• IUPAC Traditional name: 5-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-3-(2-methylpropyl)-1,2-oxazole
• Synonyms: 5-{[3-(2-chlorophenoxy)-1-azetidinyl]carbonyl}-3-isobutylisoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2556143
• LogD (pH = 7.4): 3.255615
• Log P: 3.255615
• Molar Refractivity: 87.6755 cm^3
• Polarizability: 33.44771 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.8
• LOG S: -3.18
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5