N-methyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 464667
• Molecular Formular: C15H22N4O3
• Molecular Mass: 306.36018
• Monoisotopic Mass: 306.16919058
• SMILES: c1(noc(c1)C(C)C)C(=O)N(Cc1nc(on1)CC(C)C)C
• Canonical SMILES: CC(Cc1onc(n1)CN(C(=O)c1noc(c1)C(C)C)C)C
• InChI: InChI=1S/C15H22N4O3/c1-9(2)6-14-16-13(18-22-14)8-19(5)15(20)11-7-12(10(3)4)21-17-11/h7,9-10H,6,8H2,1-5H3
• InChIKey: VHUVFAXZXCDWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-methyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2-oxazole-3-carboxamide
• Synonyms: N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-isopropyl-N-methylisoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7048044
• LogD (pH = 7.4): 2.7048044
• Log P: 2.7048044
• Molar Refractivity: 83.1017 cm^3
• Polarizability: 30.364714 Å^3
• Polar Surface Area: 85.26 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: 1.57
• LOG S: -2.77
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 6