N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide

• ChemBase ID: 682205
• Molecular Formular: C19H20N6O3
• Molecular Mass: 380.4005
• Monoisotopic Mass: 380.15968853
• SMILES: n1c(oc(n1)C)c1ccc(NC(=O)N2CCC(Oc3ncccn3)CC2)cc1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ncccn1)Nc1ccc(cc1)c1nnc(o1)C
• InChI: InChI=1S/C19H20N6O3/c1-13-23-24-17(27-13)14-3-5-15(6-4-14)22-19(26)25-11-7-16(8-12-25)28-18-20-9-2-10-21-18/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,26)
• InChIKey: ADNZDDSKYWFXPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
• IUPAC Traditional name: N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
• Synonyms: N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.751334
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.8615139
• LogD (pH = 7.4): 0.8615224
• Log P: 0.86152434
• Molar Refractivity: 114.4535 cm^3
• Polarizability: 38.66356 Å^3
• Polar Surface Area: 106.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.18
• LOG S: -3.44
• Polar Surface Area: 106.27 Å^2
• Rotatable Bonds: 4