N-(3-cyclopentylpropyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

• ChemBase ID: 829382
• Molecular Formular: C20H27N3O2
• Molecular Mass: 341.44728
• Monoisotopic Mass: 341.21032712
• SMILES: n1c(oc(n1)CCC(=O)N(CCCC1CCCC1)C)c1ccccc1
• Canonical SMILES: CN(C(=O)CCc1nnc(o1)c1ccccc1)CCCC1CCCC1
• InChI: InChI=1S/C20H27N3O2/c1-23(15-7-10-16-8-5-6-9-16)19(24)14-13-18-21-22-20(25-18)17-11-3-2-4-12-17/h2-4,11-12,16H,5-10,13-15H2,1H3
• InChIKey: MQYDSPYKLDOSPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• Synonyms: N-(3-cyclopentylpropyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0486908
• LogD (pH = 7.4): 3.048691
• Log P: 3.048691
• Molar Refractivity: 109.4578 cm^3
• Polarizability: 38.292656 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.61
• LOG S: -4.93
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 8