2-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 680742
• Molecular Formular: C20H25FN4O2
• Molecular Mass: 372.4365032
• Monoisotopic Mass: 372.19615428
• SMILES: C1(=O)C2(CN(Cc3oc(nn3)c3cc(F)ccc3)CC2)CCCN1C(C)C
• Canonical SMILES: Fc1cccc(c1)c1nnc(o1)CN1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C20H25FN4O2/c1-14(2)25-9-4-7-20(19(25)26)8-10-24(13-20)12-17-22-23-18(27-17)15-5-3-6-16(21)11-15/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3
• InChIKey: YBSFRCZWZJIMRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7684364
• LogD (pH = 7.4): 1.0056797
• Log P: 1.862013
• Molar Refractivity: 111.9516 cm^3
• Polarizability: 38.770252 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: 2.18
• LOG S: -3.78
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4