N-methyl-3-{5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(thiophen-2-ylmethyl)propanamide

• ChemBase ID: 650486
• Molecular Formular: C19H21N3O2S
• Molecular Mass: 355.45394
• Monoisotopic Mass: 355.13544793
• SMILES: n1nc(oc1Cc1cc(ccc1)C)CCC(=O)N(Cc1sccc1)C
• Canonical SMILES: Cc1cccc(c1)Cc1nnc(o1)CCC(=O)N(Cc1cccs1)C
• InChI: InChI=1S/C19H21N3O2S/c1-14-5-3-6-15(11-14)12-18-21-20-17(24-18)8-9-19(23)22(2)13-16-7-4-10-25-16/h3-7,10-11H,8-9,12-13H2,1-2H3
• InChIKey: PRWIGLVRHKMSME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.651203
• LogD (pH = 7.4): 2.651203
• Log P: 2.651203
• Molar Refractivity: 99.6395 cm^3
• Polarizability: 37.227287 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.58
• LOG S: -4.78
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 7