1-[2-(3-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]-3-propoxypiperidine

• ChemBase ID: 858186
• Molecular Formular: C19H23FN2O4
• Molecular Mass: 362.3953232
• Monoisotopic Mass: 362.16418545
• SMILES: c1(nc(oc1)COc1cc(F)ccc1)C(=O)N1CC(OCCC)CCC1
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)c1coc(n1)COc1cccc(c1)F
• InChI: InChI=1S/C19H23FN2O4/c1-2-9-24-16-7-4-8-22(11-16)19(23)17-12-26-18(21-17)13-25-15-6-3-5-14(20)10-15/h3,5-6,10,12,16H,2,4,7-9,11,13H2,1H3
• InChIKey: GOUODWYYAIVIJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]-3-propoxypiperidine
• IUPAC Traditional name: 1-[2-(3-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]-3-propoxypiperidine
• Synonyms: 1-({2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl}carbonyl)-3-propoxypiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6795695
• LogD (pH = 7.4): 2.6795695
• Log P: 2.6795695
• Molar Refractivity: 93.4137 cm^3
• Polarizability: 35.705425 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.46
• LOG S: -3.95
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 5