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

• ChemBase ID: 575365
• Molecular Formular: C13H21N5O
• Molecular Mass: 263.33874
• Monoisotopic Mass: 263.17461032
• SMILES: n1(nc(cc1C)C)C(CNc1oc(nn1)CCC)C
• Canonical SMILES: CCCc1nnc(o1)NCC(n1nc(cc1C)C)C
• InChI: InChI=1S/C13H21N5O/c1-5-6-12-15-16-13(19-12)14-8-11(4)18-10(3)7-9(2)17-18/h7,11H,5-6,8H2,1-4H3,(H,14,16)
• InChIKey: GADHECCUYSYVCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.121343
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3541781
• LogD (pH = 7.4): 1.3568567
• Log P: 1.3569703
• Molar Refractivity: 87.4717 cm^3
• Polarizability: 27.421064 Å^3
• Polar Surface Area: 68.77 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: 2.18
• LOG S: -2.98
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 6