5-cyclopropyl-N-[3-(2-methyl-1H-imidazol-1-yl)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 862433
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: o1c(nnc1C1CC1)NC(CCn1c(ncc1)C)c1ccccc1
• Canonical SMILES: Cc1nccn1CCC(c1ccccc1)Nc1nnc(o1)C1CC1
• InChI: InChI=1S/C18H21N5O/c1-13-19-10-12-23(13)11-9-16(14-5-3-2-4-6-14)20-18-22-21-17(24-18)15-7-8-15/h2-6,10,12,15-16H,7-9,11H2,1H3,(H,20,22)
• InChIKey: FGRYEIQCRILBKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[3-(2-methyl-1H-imidazol-1-yl)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclopropyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclopropyl-N-[3-(2-methyl-1H-imidazol-1-yl)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.944688
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.87589157
• LogD (pH = 7.4): 1.6426755
• Log P: 1.8887662
• Molar Refractivity: 94.02 cm^3
• Polarizability: 34.50528 Å^3
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.51
• LOG S: -4.26
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 7