2-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 497671
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: C12(C(=O)N(C(C)C)CCC2)CN(C(=O)Cc2onc(c2)C)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C(C)C)Cc1onc(c1)C
• InChI: InChI=1S/C17H25N3O3/c1-12(2)20-7-4-5-17(16(20)22)6-8-19(11-17)15(21)10-14-9-13(3)18-23-14/h9,12H,4-8,10-11H2,1-3H3
• InChIKey: LRFGOVZQCJUFJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-isopropyl-2-[(3-methylisoxazol-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.392607
• LogD (pH = 7.4): 0.39261228
• Log P: 0.39261234
• Molar Refractivity: 86.6725 cm^3
• Polarizability: 33.014668 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.71
• LOG S: -2.14
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 3