N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 339054
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: o1c(nnc1C1CC1)N[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: c1ccc(cc1)CO[C@@H]1CCC[C@H]1Nc1nnc(o1)C1CC1
• InChI: InChI=1S/C17H21N3O2/c1-2-5-12(6-3-1)11-21-15-8-4-7-14(15)18-17-20-19-16(22-17)13-9-10-13/h1-3,5-6,13-15H,4,7-11H2,(H,18,20)/t14-,15-/m1/s1
• InChIKey: UUSBGWAOXCDBLV-HUUCEWRRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.026076
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.66196
• LogD (pH = 7.4): 2.6609976
• Log P: 2.6619725
• Molar Refractivity: 85.6291 cm^3
• Polarizability: 31.902346 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.22
• LOG S: -4.09
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 6