8-(5-methyl-1,3-oxazole-4-carbonyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 320512
• Molecular Formular: C21H25N3O4
• Molecular Mass: 383.4409
• Monoisotopic Mass: 383.1845063
• SMILES: c1(C(=O)N2CCC3(OC(=O)N(CC(c4ccccc4)C)C3)CC2)ncoc1C
• Canonical SMILES: O=C1OC2(CN1CC(c1ccccc1)C)CCN(CC2)C(=O)c1ncoc1C
• InChI: InChI=1S/C21H25N3O4/c1-15(17-6-4-3-5-7-17)12-24-13-21(28-20(24)26)8-10-23(11-9-21)19(25)18-16(2)27-14-22-18/h3-7,14-15H,8-13H2,1-2H3
• InChIKey: SECABUVVZBNSNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-methyl-1,3-oxazole-4-carbonyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(5-methyl-1,3-oxazole-4-carbonyl)-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(5-methyl-1,3-oxazol-4-yl)carbonyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8018838
• LogD (pH = 7.4): 1.8018838
• Log P: 1.8018838
• Molar Refractivity: 103.5226 cm^3
• Polarizability: 39.411594 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.58
• LOG S: -3.35
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4