(2R)-2-({5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}amino)propanamide

• ChemBase ID: 642584
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: n1c(onc1CCCc1ccccc1)c1cnc(N[C@@H](C(=O)N)C)cc1
• Canonical SMILES: NC(=O)[C@H](Nc1ccc(cn1)c1onc(n1)CCCc1ccccc1)C
• InChI: InChI=1S/C19H21N5O2/c1-13(18(20)25)22-16-11-10-15(12-21-16)19-23-17(24-26-19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3,(H2,20,25)(H,21,22)/t13-/m1/s1
• InChIKey: NETHQHCBVULPCY-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-({5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}amino)propanamide
• IUPAC Traditional name: (2R)-2-({5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}amino)propanamide
• Synonyms: (2R)-2-({5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}amino)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.800107
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.1114306
• LogD (pH = 7.4): 3.2081666
• Log P: 3.2095582
• Molar Refractivity: 111.0751 cm^3
• Polarizability: 37.65669 Å^3
• Polar Surface Area: 106.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.6
• LOG S: -4.84
• Polar Surface Area: 106.93 Å^2
• Rotatable Bonds: 8