N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 433540
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: n1nc(oc1CCC(=O)N(Cc1ncc[nH]1)C)CCCCc1ccccc1
• Canonical SMILES: CN(C(=O)CCc1nnc(o1)CCCCc1ccccc1)Cc1[nH]ccn1
• InChI: InChI=1S/C20H25N5O2/c1-25(15-17-21-13-14-22-17)20(26)12-11-19-24-23-18(27-19)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12,15H2,1H3,(H,21,22)
• InChIKey: RQMIZTAPIRMRSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.607375
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8829135
• LogD (pH = 7.4): 1.4885803
• Log P: 1.5133027
• Molar Refractivity: 103.7932 cm^3
• Polarizability: 39.07557 Å^3
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.24
• LOG S: -4.76
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 10