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

• ChemBase ID: 335793
• Molecular Formular: C22H24N6O
• Molecular Mass: 388.46556
• Monoisotopic Mass: 388.20115942
• SMILES: n1c(onc1CCCc1ccccc1)c1cnc(N(Cc2n(ccn2)C)C)cc1
• Canonical SMILES: CN(c1ccc(cn1)c1onc(n1)CCCc1ccccc1)Cc1nccn1C
• InChI: InChI=1S/C22H24N6O/c1-27-14-13-23-21(27)16-28(2)20-12-11-18(15-24-20)22-25-19(26-29-22)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-15H,6,9-10,16H2,1-2H3
• InChIKey: QVVQNRQCPASERY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.9215164
• LogD (pH = 7.4): 4.5513234
• Log P: 4.5704746
• Molar Refractivity: 124.7003 cm^3
• Polarizability: 42.770294 Å^3
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.85
• LOG S: -5.32
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 8