4-[(dimethyl-1,2-oxazol-4-yl)methyl]-9-(2-methoxyethyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 693725
• Molecular Formular: C19H32N4O3
• Molecular Mass: 364.48238
• Monoisotopic Mass: 364.2474409
• SMILES: c1(c(onc1C)C)CN1CC2(N(CC1)C)CCN(C(=O)CC2)CCOC
• Canonical SMILES: COCCN1CCC2(CCC1=O)CN(CCN2C)Cc1c(C)noc1C
• InChI: InChI=1S/C19H32N4O3/c1-15-17(16(2)26-20-15)13-22-10-9-21(3)19(14-22)6-5-18(24)23(8-7-19)11-12-25-4/h5-14H2,1-4H3
• InChIKey: NTCDQNNABLGMNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dimethyl-1,2-oxazol-4-yl)methyl]-9-(2-methoxyethyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 4-[(dimethyl-1,2-oxazol-4-yl)methyl]-9-(2-methoxyethyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-9-(2-methoxyethyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.0013936
• LogD (pH = 7.4): -1.2611144
• Log P: -0.07369911
• Molar Refractivity: 102.4883 cm^3
• Polarizability: 39.130005 Å^3
• Polar Surface Area: 62.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.07
• LOG S: -3.23
• Polar Surface Area: 62.05 Å^2
• Rotatable Bonds: 5