2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

• ChemBase ID: 548795
• Molecular Formular: C18H21N7O3
• Molecular Mass: 383.40444
• Monoisotopic Mass: 383.17058757
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)NCc1nc(oc1)c1ccccc1
• Canonical SMILES: O=C(Cn1nnnc1CN1CCOCC1)NCc1coc(n1)c1ccccc1
• InChI: InChI=1S/C18H21N7O3/c26-17(12-25-16(21-22-23-25)11-24-6-8-27-9-7-24)19-10-15-13-28-18(20-15)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,26)
• InChIKey: VNNRFLJKFMYOBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
• Synonyms: 2-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.979857
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.1988518
• LogD (pH = 7.4): -0.18409458
• Log P: -0.18390213
• Molar Refractivity: 123.1837 cm^3
• Polarizability: 38.72462 Å^3
• Polar Surface Area: 111.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 0.14
• LOG S: -3.42
• Polar Surface Area: 111.2 Å^2
• Rotatable Bonds: 7