4-[5-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-2-(4-fluorophenyl)morpholine

• ChemBase ID: 856288
• Molecular Formular: C19H19FN4O3
• Molecular Mass: 370.3775632
• Monoisotopic Mass: 370.14411871
• SMILES: c1(c2cc(no2)C(=O)N2CC(c3ccc(cc3)F)OCC2)c(n(nc1)C)C
• Canonical SMILES: Fc1ccc(cc1)C1OCCN(C1)C(=O)c1noc(c1)c1cnn(c1C)C
• InChI: InChI=1S/C19H19FN4O3/c1-12-15(10-21-23(12)2)17-9-16(22-27-17)19(25)24-7-8-26-18(11-24)13-3-5-14(20)6-4-13/h3-6,9-10,18H,7-8,11H2,1-2H3
• InChIKey: DRUPGNROIQLXHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-2-(4-fluorophenyl)morpholine
• IUPAC Traditional name: 4-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-2-(4-fluorophenyl)morpholine
• Synonyms: 4-{[5-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazol-3-yl]carbonyl}-2-(4-fluorophenyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9246359
• LogD (pH = 7.4): 1.9247224
• Log P: 1.9247235
• Molar Refractivity: 108.6403 cm^3
• Polarizability: 37.07684 Å^3
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.38
• LOG S: -2.23
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 3