N-methyl-N-(oxan-4-yl)-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

• ChemBase ID: 834366
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: n1c2c(oc1CCCc1ccccc1)ccc(C(=O)N(C1CCOCC1)C)c2
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)nc(o2)CCCc1ccccc1)C1CCOCC1
• InChI: InChI=1S/C23H26N2O3/c1-25(19-12-14-27-15-13-19)23(26)18-10-11-21-20(16-18)24-22(28-21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,16,19H,5,8-9,12-15H2,1H3
• InChIKey: DNMJWOBCTXWEOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxan-4-yl)-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
• IUPAC Traditional name: N-methyl-N-(oxan-4-yl)-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
• Synonyms: N-methyl-2-(3-phenylpropyl)-N-(tetrahydro-2H-pyran-4-yl)-1,3-benzoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4255843
• LogD (pH = 7.4): 3.4255857
• Log P: 3.4255857
• Molar Refractivity: 108.435 cm^3
• Polarizability: 42.63955 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.55
• LOG S: -4.74
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6