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

• ChemBase ID: 393322
• Molecular Formular: C21H26FN3O3
• Molecular Mass: 387.4478432
• Monoisotopic Mass: 387.19581993
• SMILES: n1c(c(oc1c1ccc(cc1)F)C)CN1CC(C(=O)N2CCOCC2)CCC1
• Canonical SMILES: Fc1ccc(cc1)c1oc(c(n1)CN1CCCC(C1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C21H26FN3O3/c1-15-19(23-20(28-15)16-4-6-18(22)7-5-16)14-24-8-2-3-17(13-24)21(26)25-9-11-27-12-10-25/h4-7,17H,2-3,8-14H2,1H3
• InChIKey: MJSWGIUSMCULJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)morpholine
• IUPAC Traditional name: 4-(1-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-3-carbonyl)morpholine
• Synonyms: 4-[(1-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-piperidinyl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5351813
• LogD (pH = 7.4): 1.2315423
• Log P: 1.9559666
• Molar Refractivity: 114.1736 cm^3
• Polarizability: 40.251755 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.47
• LOG S: -1.83
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4