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

• ChemBase ID: 715904
• Molecular Formular: C16H18N6O2
• Molecular Mass: 326.35312
• Monoisotopic Mass: 326.14912385
• SMILES: n1c(noc1CN(C(=O)CCc1n(cnn1)C)C)c1ccccc1
• Canonical SMILES: O=C(N(Cc1onc(n1)c1ccccc1)C)CCc1nncn1C
• InChI: InChI=1S/C16H18N6O2/c1-21(15(23)9-8-13-19-17-11-22(13)2)10-14-18-16(20-24-14)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
• InChIKey: KKRINXOLSICFND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.69164675
• LogD (pH = 7.4): 0.6918183
• Log P: 0.69182044
• Molar Refractivity: 101.0421 cm^3
• Polarizability: 33.44898 Å^3
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.94
• LOG S: -2.38
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 6