3-[2-(dimethylamino)ethyl]-8-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 687706
• Molecular Formular: C19H30N4O4
• Molecular Mass: 378.4659
• Monoisotopic Mass: 378.22670546
• SMILES: c1(C(=O)N2CCC3(OC(=O)N(C3)CCN(C)C)CC2)cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)C(=O)N1CCC2(CC1)OC(=O)N(C2)CCN(C)C)C
• InChI: InChI=1S/C19H30N4O4/c1-14(2)11-15-12-16(27-20-15)17(24)22-7-5-19(6-8-22)13-23(18(25)26-19)10-9-21(3)4/h12,14H,5-11,13H2,1-4H3
• InChIKey: WCPNHIXMEVZJPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(dimethylamino)ethyl]-8-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-[2-(dimethylamino)ethyl]-8-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-[2-(dimethylamino)ethyl]-8-[(3-isobutylisoxazol-5-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0887022
• LogD (pH = 7.4): -0.33286932
• Log P: 0.76315844
• Molar Refractivity: 101.9029 cm^3
• Polarizability: 38.737312 Å^3
• Polar Surface Area: 79.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.36
• LOG S: -2.27
• Polar Surface Area: 79.12 Å^2
• Rotatable Bonds: 6