N-[(1R,3S)-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

• ChemBase ID: 441241
• Molecular Formular: C17H26N4O4
• Molecular Mass: 350.41274
• Monoisotopic Mass: 350.19540533
• SMILES: N1(C(=O)[C@@H]2C[C@H](NC(=O)Cc3nonc3C)CC2)C[C@H](O[C@H](C1)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C(=O)[C@H]1CC[C@H](C1)NC(=O)Cc1nonc1C
• InChI: InChI=1S/C17H26N4O4/c1-10-8-21(9-11(2)24-10)17(23)13-4-5-14(6-13)18-16(22)7-15-12(3)19-25-20-15/h10-11,13-14H,4-9H2,1-3H3,(H,18,22)/t10-,11+,13-,14+/m0/s1
• InChIKey: FCXXTAIUMOJHFH-UZGDPCLZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3S)-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• IUPAC Traditional name: N-[(1R,3S)-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• Synonyms: N-((1R*,3S*)-3-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}cyclopentyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.989825
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.03370244
• LogD (pH = 7.4): -0.0337012
• Log P: -0.033701174
• Molar Refractivity: 90.8554 cm^3
• Polarizability: 34.748444 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.35
• LOG S: -2.77
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 4