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

• ChemBase ID: 484228
• Molecular Formular: C19H22N2O4
• Molecular Mass: 342.38898
• Monoisotopic Mass: 342.15795719
• SMILES: c1(noc(c1)COc1cc2c(cc1)CCCC2)C(=O)NC1CCOC1
• Canonical SMILES: O=C(c1noc(c1)COc1ccc2c(c1)CCCC2)NC1COCC1
• InChI: InChI=1S/C19H22N2O4/c22-19(20-15-7-8-23-11-15)18-10-17(25-21-18)12-24-16-6-5-13-3-1-2-4-14(13)9-16/h5-6,9-10,15H,1-4,7-8,11-12H2,(H,20,22)
• InChIKey: HLDPWCKAMVQGHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-3-yl)-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-(oxolan-3-yl)-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: N-(tetrahydro-3-furanyl)-5-[(5,6,7,8-tetrahydro-2-naphthalenyloxy)methyl]-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.274085
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6382413
• LogD (pH = 7.4): 2.6382363
• Log P: 2.6382415
• Molar Refractivity: 93.1487 cm^3
• Polarizability: 35.11317 Å^3
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.93
• LOG S: -4.67
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 5