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

• ChemBase ID: 494684
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: c1(C(=O)N2CC3(CN(CCc4ccccc4)CCC3)CC2)c(C2CC2)ocn1
• Canonical SMILES: O=C(c1ncoc1C1CC1)N1CCC2(C1)CCCN(C2)CCc1ccccc1
• InChI: InChI=1S/C23H29N3O2/c27-22(20-21(19-7-8-19)28-17-24-20)26-14-11-23(16-26)10-4-12-25(15-23)13-9-18-5-2-1-3-6-18/h1-3,5-6,17,19H,4,7-16H2
• InChIKey: GDGJPVQZEPNACY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.47172615
• LogD (pH = 7.4): 1.0638984
• Log P: 2.7832272
• Molar Refractivity: 109.7595 cm^3
• Polarizability: 41.86893 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.49
• LOG S: -4.23
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 5