2-cyclopropyl-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-1,3,4-oxadiazole

• ChemBase ID: 558179
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: n1(C2CN(c3oc(nn3)C3CC3)C2)nc(cc1C)C
• Canonical SMILES: Cc1nn(c(c1)C)C1CN(C1)c1nnc(o1)C1CC1
• InChI: InChI=1S/C13H17N5O/c1-8-5-9(2)18(16-8)11-6-17(7-11)13-15-14-12(19-13)10-3-4-10/h5,10-11H,3-4,6-7H2,1-2H3
• InChIKey: BLAOLWQJRUBKGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-1,3,4-oxadiazole
• IUPAC Traditional name: 2-cyclopropyl-5-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3,4-oxadiazole
• Synonyms: 2-cyclopropyl-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-1,3,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0958995
• LogD (pH = 7.4): 1.0985608
• Log P: 1.0985949
• Molar Refractivity: 83.1602 cm^3
• Polarizability: 25.989021 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.12
• LOG S: -3.01
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 3