5-{[3-(naphthalen-1-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-2-propylpyrimidine

• ChemBase ID: 793200
• Molecular Formular: C24H24N4O
• Molecular Mass: 384.47356
• Monoisotopic Mass: 384.19501141
• SMILES: c12c(noc1CCN(C2)Cc1cnc(nc1)CCC)c1c2c(ccc1)cccc2
• Canonical SMILES: CCCc1ncc(cn1)CN1CCc2c(C1)c(no2)c1cccc2c1cccc2
• InChI: InChI=1S/C24H24N4O/c1-2-6-23-25-13-17(14-26-23)15-28-12-11-22-21(16-28)24(27-29-22)20-10-5-8-18-7-3-4-9-19(18)20/h3-5,7-10,13-14H,2,6,11-12,15-16H2,1H3
• InChIKey: WUAWPHJQAOSGOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[3-(naphthalen-1-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-2-propylpyrimidine
• IUPAC Traditional name: 5-{[3-(naphthalen-1-yl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-2-propylpyrimidine
• Synonyms: 3-(1-naphthyl)-5-[(2-propylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8231125
• LogD (pH = 7.4): 4.2957273
• Log P: 4.496169
• Molar Refractivity: 115.6838 cm^3
• Polarizability: 46.18795 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.99
• LOG S: -3.55
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5