7-methyl-2-{4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]butanoyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 580873
• Molecular Formular: C20H25N5O3
• Molecular Mass: 383.4442
• Monoisotopic Mass: 383.19573969
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)CCCc2nc(no2)c2cnccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C)CCCc1onc(n1)c1cccnc1
• InChI: InChI=1S/C20H25N5O3/c1-24-11-4-8-20(19(24)27)9-12-25(14-20)17(26)7-2-6-16-22-18(23-28-16)15-5-3-10-21-13-15/h3,5,10,13H,2,4,6-9,11-12,14H2,1H3
• InChIKey: ODFNSUOHKGVPLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-{4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]butanoyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-{4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]butanoyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0173582
• LogD (pH = 7.4): 1.0230715
• Log P: 1.023145
• Molar Refractivity: 114.0918 cm^3
• Polarizability: 39.755684 Å^3
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.31
• LOG S: -3.11
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 5