(3R,4S)-4-cyclopropyl-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-N,N-dimethylpyrrolidin-3-amine

• ChemBase ID: 827232
• Molecular Formular: C14H24N4O2
• Molecular Mass: 280.36596
• Monoisotopic Mass: 280.18992603
• SMILES: n1c(onc1COC)CN1C[C@@H]([C@H](C1)N(C)C)C1CC1
• Canonical SMILES: COCc1noc(n1)CN1C[C@@H]([C@H](C1)C1CC1)N(C)C
• InChI: InChI=1S/C14H24N4O2/c1-17(2)12-7-18(6-11(12)10-4-5-10)8-14-15-13(9-19-3)16-20-14/h10-12H,4-9H2,1-3H3/t11-,12+/m1/s1
• InChIKey: SIBVBTAQPSXVTM-NEPJUHHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-4-cyclopropyl-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-N,N-dimethylpyrrolidin-3-amine
• IUPAC Traditional name: (3R,4S)-4-cyclopropyl-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-N,N-dimethylpyrrolidin-3-amine
• Synonyms: (3R*,4S*)-4-cyclopropyl-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-N,N-dimethyl-3-pyrrolidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.6814547
• LogD (pH = 7.4): -1.4340286
• Log P: 0.87479943
• Molar Refractivity: 77.9711 cm^3
• Polarizability: 29.836748 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.53
• LOG S: -0.69
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 6