2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 530449
• Molecular Formular: C22H25F2N3O2
• Molecular Mass: 401.4496064
• Monoisotopic Mass: 401.1914835
• SMILES: c1(C(=O)N2CC3(CN(Cc4cc(c(cc4)F)F)CCC3)CC2)c(C2CC2)ocn1
• Canonical SMILES: O=C(c1ncoc1C1CC1)N1CCC2(C1)CCCN(C2)Cc1ccc(c(c1)F)F
• InChI: InChI=1S/C22H25F2N3O2/c23-17-5-2-15(10-18(17)24)11-26-8-1-6-22(12-26)7-9-27(13-22)21(28)19-20(16-3-4-16)29-14-25-19/h2,5,10,14,16H,1,3-4,6-9,11-13H2
• InChIKey: ILPIETSFYISEFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[(5-cyclopropyl-1,3-oxazol-4-yl)carbonyl]-7-(3,4-difluorobenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.80844414
• LogD (pH = 7.4): 2.437332
• Log P: 2.77997
• Molar Refractivity: 105.4373 cm^3
• Polarizability: 39.5079 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.53
• LOG S: -4.82
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4