8-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 381530
• Molecular Formular: C18H26ClN3O4
• Molecular Mass: 383.86974
• Monoisotopic Mass: 383.16118401
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)CCc1cc(no1)Cl)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)CCc1onc(c1)Cl
• InChI: InChI=1S/C18H26ClN3O4/c1-25-10-2-7-22-13-18(12-17(22)24)5-8-21(9-6-18)16(23)4-3-14-11-15(19)20-26-14/h11H,2-10,12-13H2,1H3
• InChIKey: MDHYAOUXKBCPCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[3-(3-chloro-5-isoxazolyl)propanoyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.10179158
• LogD (pH = 7.4): 0.101792105
• Log P: 0.10179211
• Molar Refractivity: 99.3918 cm^3
• Polarizability: 37.66387 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.61
• LOG S: -2.52
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 7