3-[2-(4-fluorophenyl)azetidine-1-carbonyl]-5-propyl-1,2-oxazole

• ChemBase ID: 848501
• Molecular Formular: C16H17FN2O2
• Molecular Mass: 288.3167832
• Monoisotopic Mass: 288.12740601
• SMILES: c1(C(=O)N2C(CC2)c2ccc(cc2)F)noc(c1)CCC
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCC1c1ccc(cc1)F
• InChI: InChI=1S/C16H17FN2O2/c1-2-3-13-10-14(18-21-13)16(20)19-9-8-15(19)11-4-6-12(17)7-5-11/h4-7,10,15H,2-3,8-9H2,1H3
• InChIKey: FVKHOZVSWYSACU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(4-fluorophenyl)azetidine-1-carbonyl]-5-propyl-1,2-oxazole
• IUPAC Traditional name: 3-[2-(4-fluorophenyl)azetidine-1-carbonyl]-5-propyl-1,2-oxazole
• Synonyms: 3-{[2-(4-fluorophenyl)-1-azetidinyl]carbonyl}-5-propylisoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0036633
• LogD (pH = 7.4): 3.0036633
• Log P: 3.0036633
• Molar Refractivity: 77.6701 cm^3
• Polarizability: 28.69492 Å^3
• Polar Surface Area: 46.34 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: 1.41
• LOG S: -2.51
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4