5-cyclopropyl-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 618314
• Molecular Formular: C13H19N5O
• Molecular Mass: 261.32286
• Monoisotopic Mass: 261.15896025
• SMILES: o1c(nnc1NCCCc1c([nH]nc1C)C)C1CC1
• Canonical SMILES: Cc1[nH]nc(c1CCCNc1nnc(o1)C1CC1)C
• InChI: InChI=1S/C13H19N5O/c1-8-11(9(2)16-15-8)4-3-7-14-13-18-17-12(19-13)10-5-6-10/h10H,3-7H2,1-2H3,(H,14,18)(H,15,16)
• InChIKey: MEJUTWLKYDCRKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclopropyl-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclopropyl-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.106672
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1036375
• LogD (pH = 7.4): 1.1073375
• Log P: 1.1073931
• Molar Refractivity: 75.8878 cm^3
• Polarizability: 26.706598 Å^3
• Polar Surface Area: 79.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.21
• LOG S: -3.13
• Polar Surface Area: 79.63 Å^2
• Rotatable Bonds: 6