N-benzyl-N-ethyl-3-(1-phenylethyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 332894
• Molecular Formular: C21H22N2O2
• Molecular Mass: 334.41158
• Monoisotopic Mass: 334.16812795
• SMILES: c1(cc(no1)C(c1ccccc1)C)C(=O)N(Cc1ccccc1)CC
• Canonical SMILES: CCN(C(=O)c1onc(c1)C(c1ccccc1)C)Cc1ccccc1
• InChI: InChI=1S/C21H22N2O2/c1-3-23(15-17-10-6-4-7-11-17)21(24)20-14-19(22-25-20)16(2)18-12-8-5-9-13-18/h4-14,16H,3,15H2,1-2H3
• InChIKey: AXZDWPQYVDLUPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-ethyl-3-(1-phenylethyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-benzyl-N-ethyl-3-(1-phenylethyl)-1,2-oxazole-5-carboxamide
• Synonyms: N-benzyl-N-ethyl-3-(1-phenylethyl)-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.145762
• LogD (pH = 7.4): 4.145762
• Log P: 4.145762
• Molar Refractivity: 99.4984 cm^3
• Polarizability: 37.465107 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.06
• LOG S: -4.88
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5