4-({3-[3-(4-fluorophenoxy)azetidine-1-carbonyl]-1,2-oxazol-5-yl}methyl)morpholine

• ChemBase ID: 330913
• Molecular Formular: C18H20FN3O4
• Molecular Mass: 361.3675032
• Monoisotopic Mass: 361.14378436
• SMILES: c1(C(=O)N2CC(C2)Oc2ccc(F)cc2)noc(c1)CN1CCOCC1
• Canonical SMILES: O=C(c1noc(c1)CN1CCOCC1)N1CC(C1)Oc1ccc(cc1)F
• InChI: InChI=1S/C18H20FN3O4/c19-13-1-3-14(4-2-13)25-16-11-22(12-16)18(23)17-9-15(26-20-17)10-21-5-7-24-8-6-21/h1-4,9,16H,5-8,10-12H2
• InChIKey: IVNRDFHCMZJNPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({3-[3-(4-fluorophenoxy)azetidine-1-carbonyl]-1,2-oxazol-5-yl}methyl)morpholine
• IUPAC Traditional name: 4-({3-[3-(4-fluorophenoxy)azetidine-1-carbonyl]-1,2-oxazol-5-yl}methyl)morpholine
• Synonyms: 4-[(3-{[3-(4-fluorophenoxy)azetidin-1-yl]carbonyl}isoxazol-5-yl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1689365
• LogD (pH = 7.4): 1.3369021
• Log P: 1.3395251
• Molar Refractivity: 91.9643 cm^3
• Polarizability: 34.70379 Å^3
• Polar Surface Area: 68.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.33
• LOG S: -2.01
• Polar Surface Area: 68.04 Å^2
• Rotatable Bonds: 5