N-[3-({[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}methoxy)phenyl]propanamide

• ChemBase ID: 509737
• Molecular Formular: C15H18N4O4
• Molecular Mass: 318.32782
• Monoisotopic Mass: 318.13280508
• SMILES: n1nc(oc1CNC(=O)COc1cc(NC(=O)CC)ccc1)C
• Canonical SMILES: CCC(=O)Nc1cccc(c1)OCC(=O)NCc1nnc(o1)C
• InChI: InChI=1S/C15H18N4O4/c1-3-13(20)17-11-5-4-6-12(7-11)22-9-14(21)16-8-15-19-18-10(2)23-15/h4-7H,3,8-9H2,1-2H3,(H,16,21)(H,17,20)
• InChIKey: AAIRLCNRDPEWOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-({[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}methoxy)phenyl]propanamide
• IUPAC Traditional name: N-[3-({[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}methoxy)phenyl]propanamide
• Synonyms: N-[3-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino}-2-oxoethoxy)phenyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.692422
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.44931874
• LogD (pH = 7.4): -0.44933808
• Log P: -0.44931844
• Molar Refractivity: 84.1205 cm^3
• Polarizability: 31.023851 Å^3
• Polar Surface Area: 106.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.02
• LOG S: -1.96
• Polar Surface Area: 106.35 Å^2
• Rotatable Bonds: 7