3-(3,4-dimethylphenyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

• ChemBase ID: 848061
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: n1c(onc1CCC)CN(C(=O)CCc1cc(c(cc1)C)C)C
• Canonical SMILES: CCCc1noc(n1)CN(C(=O)CCc1ccc(c(c1)C)C)C
• InChI: InChI=1S/C18H25N3O2/c1-5-6-16-19-17(23-20-16)12-21(4)18(22)10-9-15-8-7-13(2)14(3)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3
• InChIKey: UIRWINHEJOEAOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,4-dimethylphenyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
• IUPAC Traditional name: 3-(3,4-dimethylphenyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
• Synonyms: 3-(3,4-dimethylphenyl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.0122595
• LogD (pH = 7.4): 4.0122595
• Log P: 4.0122595
• Molar Refractivity: 92.0726 cm^3
• Polarizability: 34.419632 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: 2.69
• LOG S: -4.11
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5