(4-{5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}morpholin-2-yl)methanamine

• ChemBase ID: 747239
• Molecular Formular: C21H25N5O2
• Molecular Mass: 379.4555
• Monoisotopic Mass: 379.20082507
• SMILES: n1c(onc1CCCc1ccccc1)c1cnc(N2CC(OCC2)CN)cc1
• Canonical SMILES: NCC1OCCN(C1)c1ccc(cn1)c1onc(n1)CCCc1ccccc1
• InChI: InChI=1S/C21H25N5O2/c22-13-18-15-26(11-12-27-18)20-10-9-17(14-23-20)21-24-19(25-28-21)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-10,14,18H,4,7-8,11-13,15,22H2
• InChIKey: FTKGDZWCNJBWIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.42983952
• LogD (pH = 7.4): 1.8779324
• Log P: 3.5677168
• Molar Refractivity: 119.6037 cm^3
• Polarizability: 41.61762 Å^3
• Polar Surface Area: 90.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.74
• LOG S: -3.3
• Polar Surface Area: 90.3 Å^2
• Rotatable Bonds: 7