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

• ChemBase ID: 593306
• Molecular Formular: C20H24N4O4
• Molecular Mass: 384.42896
• Monoisotopic Mass: 384.17975527
• SMILES: c1(noc(c1)COc1cc2c(cc1)CCCC2)C(=O)NCCN1C(=O)NCC1
• Canonical SMILES: O=C1NCCN1CCNC(=O)c1noc(c1)COc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C20H24N4O4/c25-19(21-7-9-24-10-8-22-20(24)26)18-12-17(28-23-18)13-27-16-6-5-14-3-1-2-4-15(14)11-16/h5-6,11-12H,1-4,7-10,13H2,(H,21,25)(H,22,26)
• InChIKey: JBFGSCCPVHLUAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.073769
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7011594
• LogD (pH = 7.4): 1.7011514
• Log P: 1.7011595
• Molar Refractivity: 103.4333 cm^3
• Polarizability: 38.641247 Å^3
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.65
• LOG S: -3.41
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 7