N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide

• ChemBase ID: 685161
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: o1c(nnc1C1CC1)N[C@H]1[C@H](NC(=O)C)Cc2c1cccc2
• Canonical SMILES: CC(=O)N[C@@H]1Cc2c([C@H]1Nc1nnc(o1)C1CC1)cccc2
• InChI: InChI=1S/C16H18N4O2/c1-9(21)17-13-8-11-4-2-3-5-12(11)14(13)18-16-20-19-15(22-16)10-6-7-10/h2-5,10,13-14H,6-8H2,1H3,(H,17,21)(H,18,20)/t13-,14-/m1/s1
• InChIKey: LUTHBZLTSCWXBO-ZIAGYGMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
• IUPAC Traditional name: N-[(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
• Synonyms: N-{(1R,2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2,3-dihydro-1H-inden-2-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.142856
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9202388
• LogD (pH = 7.4): 0.9129431
• Log P: 0.9203332
• Molar Refractivity: 83.1468 cm^3
• Polarizability: 30.598217 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.2
• LOG S: -2.39
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 4