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

• ChemBase ID: 791218
• Molecular Formular: C15H19N5O3
• Molecular Mass: 317.34306
• Monoisotopic Mass: 317.14878949
• SMILES: n1nc(oc1CNC(=O)Nc1c(CCC(=O)NC)cccc1)C
• Canonical SMILES: CNC(=O)CCc1ccccc1NC(=O)NCc1nnc(o1)C
• InChI: InChI=1S/C15H19N5O3/c1-10-19-20-14(23-10)9-17-15(22)18-12-6-4-3-5-11(12)7-8-13(21)16-2/h3-6H,7-9H2,1-2H3,(H,16,21)(H2,17,18,22)
• InChIKey: SJJCXWHNPCQAGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.235259
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.49771893
• LogD (pH = 7.4): -0.49771947
• Log P: -0.49771884
• Molar Refractivity: 86.4278 cm^3
• Polarizability: 31.45777 Å^3
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.34
• LOG S: -2.53
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 6