3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(5,6,7,8-tetrahydro-1,6-naphthyridin-6-yl)propan-1-one

• ChemBase ID: 580774
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: n1c(noc1CCC(=O)N1Cc2c(CC1)nccc2)c1ccccc1
• Canonical SMILES: O=C(N1CCc2c(C1)cccn2)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H18N4O2/c24-18(23-12-10-16-15(13-23)7-4-11-20-16)9-8-17-21-19(22-25-17)14-5-2-1-3-6-14/h1-7,11H,8-10,12-13H2
• InChIKey: FUCVRGZXXCPKSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(5,6,7,8-tetrahydro-1,6-naphthyridin-6-yl)propan-1-one
• IUPAC Traditional name: 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
• Synonyms: 6-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4080644
• LogD (pH = 7.4): 2.4307315
• Log P: 2.4310288
• Molar Refractivity: 104.2223 cm^3
• Polarizability: 35.93257 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.49
• LOG S: -2.46
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4