3-methyl-7-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 340753
• Molecular Formular: C15H21N3O4
• Molecular Mass: 307.34494
• Monoisotopic Mass: 307.15320617
• SMILES: c1(C(=O)N2CC3(OC(=O)N(C3)C)CC2)cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)C(=O)N1CCC2(C1)OC(=O)N(C2)C)C
• InChI: InChI=1S/C15H21N3O4/c1-10(2)6-11-7-12(22-16-11)13(19)18-5-4-15(9-18)8-17(3)14(20)21-15/h7,10H,4-6,8-9H2,1-3H3
• InChIKey: NRCZMTHDLDTOHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 3-methyl-7-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 7-[(3-isobutyl-5-isoxazolyl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.68455344
• LogD (pH = 7.4): 0.68455416
• Log P: 0.68455416
• Molar Refractivity: 79.0184 cm^3
• Polarizability: 29.896404 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.52
• LOG S: -2.31
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 3