2-benzyl-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide

• ChemBase ID: 777880
• Molecular Formular: C24H26N2O3
• Molecular Mass: 390.47484
• Monoisotopic Mass: 390.1943427
• SMILES: n1c(oc2c1cc(C(=O)N(CC1CC1)CC1OCCC1)cc2)Cc1ccccc1
• Canonical SMILES: O=C(c1ccc2c(c1)nc(o2)Cc1ccccc1)N(CC1CCCO1)CC1CC1
• InChI: InChI=1S/C24H26N2O3/c27-24(26(15-18-8-9-18)16-20-7-4-12-28-20)19-10-11-22-21(14-19)25-23(29-22)13-17-5-2-1-3-6-17/h1-3,5-6,10-11,14,18,20H,4,7-9,12-13,15-16H2
• InChIKey: BSTNJOJZTTZFHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
• IUPAC Traditional name: 2-benzyl-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
• Synonyms: 2-benzyl-N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)-1,3-benzoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7744277
• LogD (pH = 7.4): 3.7744286
• Log P: 3.7744286
• Molar Refractivity: 110.9542 cm^3
• Polarizability: 43.824852 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.86
• LOG S: -4.83
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 7