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

• ChemBase ID: 792918
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1c(noc1CCC(=O)N(CCCc1n(ccn1)C)C)c1ccccc1
• Canonical SMILES: O=C(N(CCCc1nccn1C)C)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H23N5O2/c1-23-14-12-20-16(23)9-6-13-24(2)18(25)11-10-17-21-19(22-26-17)15-7-4-3-5-8-15/h3-5,7-8,12,14H,6,9-11,13H2,1-2H3
• InChIKey: JLUSTDWKRCJDJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.494868
• LogD (pH = 7.4): 2.2290878
• Log P: 2.2684436
• Molar Refractivity: 110.2803 cm^3
• Polarizability: 37.98525 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.8
• LOG S: -3.31
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 8