2-(1,3-benzoxazol-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 466372
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1(nc2c(o1)cccc2)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)c1nc2c(o1)cccc2
• InChI: InChI=1S/C16H19N3O2/c1-18-9-4-7-16(14(18)20)8-10-19(11-16)15-17-12-5-2-3-6-13(12)21-15/h2-3,5-6H,4,7-11H2,1H3
• InChIKey: HNQJFNNRILATID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-benzoxazol-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(1,3-benzoxazol-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(1,3-benzoxazol-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0640647
• LogD (pH = 7.4): 2.0640683
• Log P: 2.0640683
• Molar Refractivity: 79.2379 cm^3
• Polarizability: 31.281294 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.17
• LOG S: -3.13
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 1