5-(3,4-dimethylphenoxymethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 417903
• Molecular Formular: C24H26N2O3
• Molecular Mass: 390.47484
• Monoisotopic Mass: 390.1943427
• SMILES: c1(C(=O)N(C2c3c(CCC2)cccc3)C)noc(c1)COc1cc(c(cc1)C)C
• Canonical SMILES: CN(C1CCCc2c1cccc2)C(=O)c1noc(c1)COc1ccc(c(c1)C)C
• InChI: InChI=1S/C24H26N2O3/c1-16-11-12-19(13-17(16)2)28-15-20-14-22(25-29-20)24(27)26(3)23-10-6-8-18-7-4-5-9-21(18)23/h4-5,7,9,11-14,23H,6,8,10,15H2,1-3H3
• InChIKey: QOBDOPRBGWASNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,4-dimethylphenoxymethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-(3,4-dimethylphenoxymethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxamide
• Synonyms: 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2485456
• LogD (pH = 7.4): 5.2485456
• Log P: 5.2485456
• Molar Refractivity: 113.8299 cm^3
• Polarizability: 42.780735 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.9
• LOG S: -5.96
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5