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

• ChemBase ID: 843544
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: n1nc(oc1Cc1cc(ccc1)C)CCC(=O)N(C(C)C)CCOC
• Canonical SMILES: COCCN(C(=O)CCc1nnc(o1)Cc1cccc(c1)C)C(C)C
• InChI: InChI=1S/C19H27N3O3/c1-14(2)22(10-11-24-4)19(23)9-8-17-20-21-18(25-17)13-16-7-5-6-15(3)12-16/h5-7,12,14H,8-11,13H2,1-4H3
• InChIKey: HDFSJXFQKDNDKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7402558
• LogD (pH = 7.4): 1.740256
• Log P: 1.740256
• Molar Refractivity: 98.3479 cm^3
• Polarizability: 37.038376 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.96
• LOG S: -3.74
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7