N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(1H-pyrazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 425690
• Molecular Formular: C19H22N6O3
• Molecular Mass: 382.41638
• Monoisotopic Mass: 382.17533859
• SMILES: n1c(oc(n1)C)c1cc(NC(=O)N2CCC(c3n[nH]cc3)CC2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)N1CCC(CC1)c1n[nH]cc1)c1nnc(o1)C
• InChI: InChI=1S/C19H22N6O3/c1-12-22-24-18(28-12)14-3-4-17(27-2)16(11-14)21-19(26)25-9-6-13(7-10-25)15-5-8-20-23-15/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,20,23)(H,21,26)
• InChIKey: VGZUEIASZHPPCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.710436
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0015309
• LogD (pH = 7.4): 1.0016012
• Log P: 1.0016226
• Molar Refractivity: 116.3973 cm^3
• Polarizability: 39.09145 Å^3
• Polar Surface Area: 109.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.4
• LOG S: -2.33
• Polar Surface Area: 109.17 Å^2
• Rotatable Bonds: 4