2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 696763
• Molecular Formular: C18H25N5O3
• Molecular Mass: 359.4228
• Monoisotopic Mass: 359.19573969
• SMILES: c1(CN2C(=O)CC3(C2)CCN(Cc2nnc(o2)C)CC3)c(onc1C)C
• Canonical SMILES: Cc1nnc(o1)CN1CCC2(CC1)CN(C(=O)C2)Cc1c(C)noc1C
• InChI: InChI=1S/C18H25N5O3/c1-12-15(13(2)26-21-12)9-23-11-18(8-17(23)24)4-6-22(7-5-18)10-16-20-19-14(3)25-16/h4-11H2,1-3H3
• InChIKey: UMGUVNMZNNLIPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.5983832
• LogD (pH = 7.4): -1.205948
• Log P: -1.0477618
• Molar Refractivity: 97.6509 cm^3
• Polarizability: 36.07372 Å^3
• Polar Surface Area: 88.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.42
• LOG S: -2.18
• Polar Surface Area: 88.5 Å^2
• Rotatable Bonds: 4