2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 450635
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1ncon1)CC2)CC1CC1
• Canonical SMILES: O=C1CCC2(CN1CC1CC1)CCN(CC2)Cc1nocn1
• InChI: InChI=1S/C16H24N4O2/c21-15-3-4-16(11-20(15)9-13-1-2-13)5-7-19(8-6-16)10-14-17-12-22-18-14/h12-13H,1-11H2
• InChIKey: DGTMBQKLDPGVRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.008553749
• LogD (pH = 7.4): 0.8530156
• Log P: 0.8875705
• Molar Refractivity: 83.8316 cm^3
• Polarizability: 31.796925 Å^3
• Polar Surface Area: 62.47 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: 0.86
• LOG S: -2.15
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4