N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2,1-benzoxazole-3-carboxamide

• ChemBase ID: 320613
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(c2c(no1)cccc2)C(=O)N(Cc1ncccc1)CC1OCCC1
• Canonical SMILES: O=C(c1onc2c1cccc2)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C19H19N3O3/c23-19(18-16-8-1-2-9-17(16)21-25-18)22(13-15-7-5-11-24-15)12-14-6-3-4-10-20-14/h1-4,6,8-10,15H,5,7,11-13H2
• InChIKey: GOFPNNIIBMRGMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2,1-benzoxazole-3-carboxamide
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2,1-benzoxazole-3-carboxamide
• Synonyms: N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)-2,1-benzisoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9203027
• LogD (pH = 7.4): 1.9377462
• Log P: 1.9379735
• Molar Refractivity: 92.5157 cm^3
• Polarizability: 36.38265 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.91
• LOG S: -1.99
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5