N,N-dipropyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 613024
• Molecular Formular: C21H28N2O3
• Molecular Mass: 356.45862
• Monoisotopic Mass: 356.20999277
• SMILES: c1(noc(c1)COc1cc2c(cc1)CCCC2)C(=O)N(CCC)CCC
• Canonical SMILES: CCCN(C(=O)c1noc(c1)COc1ccc2c(c1)CCCC2)CCC
• InChI: InChI=1S/C21H28N2O3/c1-3-11-23(12-4-2)21(24)20-14-19(26-22-20)15-25-18-10-9-16-7-5-6-8-17(16)13-18/h9-10,13-14H,3-8,11-12,15H2,1-2H3
• InChIKey: DDXYKSOMRBSJNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dipropyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N,N-dipropyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: N,N-dipropyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.719352
• LogD (pH = 7.4): 4.719352
• Log P: 4.719352
• Molar Refractivity: 102.9805 cm^3
• Polarizability: 38.79469 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.68
• LOG S: -4.94
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 8