N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 783863
• Molecular Formular: C21H22N6O2
• Molecular Mass: 390.43838
• Monoisotopic Mass: 390.18042397
• SMILES: n1c(onc1CCCc1ccccc1)c1cnc(N(Cc2nnc(o2)C)C)cc1
• Canonical SMILES: Cc1nnc(o1)CN(c1ccc(cn1)c1onc(n1)CCCc1ccccc1)C
• InChI: InChI=1S/C21H22N6O2/c1-15-24-25-20(28-15)14-27(2)19-12-11-17(13-22-19)21-23-18(26-29-21)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3
• InChIKey: OPPOCRAUNRZREY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• Synonyms: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.5412846
• LogD (pH = 7.4): 3.616229
• Log P: 3.6172779
• Molar Refractivity: 122.2151 cm^3
• Polarizability: 41.079052 Å^3
• Polar Surface Area: 93.97 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.04
• LOG S: -5.66
• Polar Surface Area: 93.97 Å^2
• Rotatable Bonds: 8