6-methyl-5-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-(1,2-oxazole-3-carbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 468693
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: c1(nc(on1)CC(C)C)c1c2c(CN(C(=O)c3nocc3)CC2)cnc1C
• Canonical SMILES: CC(Cc1onc(n1)c1c(C)ncc2c1CCN(C2)C(=O)c1nocc1)C
• InChI: InChI=1S/C19H21N5O3/c1-11(2)8-16-21-18(23-27-16)17-12(3)20-9-13-10-24(6-4-14(13)17)19(25)15-5-7-26-22-15/h5,7,9,11H,4,6,8,10H2,1-3H3
• InChIKey: UYSSEBXGCHTUAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-(1,2-oxazole-3-carbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 6-methyl-5-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-(1,2-oxazole-3-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 5-(5-isobutyl-1,2,4-oxadiazol-3-yl)-2-(3-isoxazolylcarbonyl)-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5344858
• LogD (pH = 7.4): 2.5576704
• Log P: 2.5579748
• Molar Refractivity: 110.601 cm^3
• Polarizability: 37.13707 Å^3
• Polar Surface Area: 98.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.55
• LOG S: -3.2
• Polar Surface Area: 98.15 Å^2
• Rotatable Bonds: 4