N-[(1S,2R)-2-aminocyclobutyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

• ChemBase ID: 711892
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: n1c(onc1c1ccccc1)c1c(C(=O)N[C@@H]2[C@@H](CC2)N)cccc1
• Canonical SMILES: N[C@@H]1CC[C@@H]1NC(=O)c1ccccc1c1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H18N4O2/c20-15-10-11-16(15)21-18(24)13-8-4-5-9-14(13)19-22-17(23-25-19)12-6-2-1-3-7-12/h1-9,15-16H,10-11,20H2,(H,21,24)/t15-,16+/m1/s1
• InChIKey: NMCOTOFFGDFKIS-CVEARBPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-aminocyclobutyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
• IUPAC Traditional name: N-[(1S,2R)-2-aminocyclobutyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
• Synonyms: N-[(1S*,2R*)-2-aminocyclobutyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.632407
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.18838266
• LogD (pH = 7.4): 1.0847423
• Log P: 2.9110835
• Molar Refractivity: 115.9931 cm^3
• Polarizability: 36.996975 Å^3
• Polar Surface Area: 94.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.66
• LOG S: -3.06
• Polar Surface Area: 94.04 Å^2
• Rotatable Bonds: 4