N-[(3R,4S)-1-(4-chlorobenzoyl)-4-cyclopropylpyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

• ChemBase ID: 720036
• Molecular Formular: C19H21ClN4O3
• Molecular Mass: 388.84804
• Monoisotopic Mass: 388.13021823
• SMILES: N1(C(=O)c2ccc(cc2)Cl)C[C@@H]([C@H](C1)NC(=O)Cc1nonc1C)C1CC1
• Canonical SMILES: O=C(Cc1nonc1C)N[C@H]1CN(C[C@@H]1C1CC1)C(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H21ClN4O3/c1-11-16(23-27-22-11)8-18(25)21-17-10-24(9-15(17)12-2-3-12)19(26)13-4-6-14(20)7-5-13/h4-7,12,15,17H,2-3,8-10H2,1H3,(H,21,25)/t15-,17+/m1/s1
• InChIKey: UHDQLNMAIQJUMK-WBVHZDCISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-1-(4-chlorobenzoyl)-4-cyclopropylpyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• IUPAC Traditional name: N-[(3R,4S)-1-(4-chlorobenzoyl)-4-cyclopropylpyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• Synonyms: N-[(3R*,4S*)-1-(4-chlorobenzoyl)-4-cyclopropylpyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.124606
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5329385
• LogD (pH = 7.4): 1.5329385
• Log P: 1.5329386
• Molar Refractivity: 100.7706 cm^3
• Polarizability: 37.92961 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.47
• LOG S: -2.44
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 5