N-(cyclopropylmethyl)-3-{5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-propylpropanamide

• ChemBase ID: 388240
• Molecular Formular: C20H27N3O2
• Molecular Mass: 341.44728
• Monoisotopic Mass: 341.21032712
• SMILES: n1nc(oc1Cc1cc(ccc1)C)CCC(=O)N(CC1CC1)CCC
• Canonical SMILES: CCCN(C(=O)CCc1nnc(o1)Cc1cccc(c1)C)CC1CC1
• InChI: InChI=1S/C20H27N3O2/c1-3-11-23(14-16-7-8-16)20(24)10-9-18-21-22-19(25-18)13-17-6-4-5-15(2)12-17/h4-6,12,16H,3,7-11,13-14H2,1-2H3
• InChIKey: JJUBCEBOWUOUBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-3-{5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-propylpropanamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-3-{5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-propylpropanamide
• Synonyms: N-(cyclopropylmethyl)-3-[5-(3-methylbenzyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6737556
• LogD (pH = 7.4): 2.6737561
• Log P: 2.6737561
• Molar Refractivity: 99.3516 cm^3
• Polarizability: 37.448185 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.73
• LOG S: -4.33
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 7