(1R,2R,6S,7S)-4-(5-propyl-1,2-oxazole-3-carbonyl)-10-oxa-4-azatricyclo[5.2.1.02,6]decane

• ChemBase ID: 448629
• Molecular Formular: C15H20N2O3
• Molecular Mass: 276.3309
• Monoisotopic Mass: 276.14739251
• SMILES: N1(C(=O)c2noc(c2)CCC)C[C@@H]2[C@H](C1)[C@@H]1O[C@H]2CC1
• Canonical SMILES: CCCc1onc(c1)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]1O[C@H]2CC1
• InChI: InChI=1S/C15H20N2O3/c1-2-3-9-6-12(16-20-9)15(18)17-7-10-11(8-17)14-5-4-13(10)19-14/h6,10-11,13-14H,2-5,7-8H2,1H3/t10-,11+,13+,14-
• InChIKey: TWXYZVGCKDJRDG-VWUVDNNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,6S,7S)-4-(5-propyl-1,2-oxazole-3-carbonyl)-10-oxa-4-azatricyclo[5.2.1.0^2,^6]decane
• IUPAC Traditional name: (1R,2R,6S,7S)-4-(5-propyl-1,2-oxazole-3-carbonyl)-10-oxa-4-azatricyclo[5.2.1.0^2,^6]decane
• Synonyms: (1R*,2R*,6S*,7S*)-4-[(5-propyl-3-isoxazolyl)carbonyl]-10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2208209
• LogD (pH = 7.4): 1.2208209
• Log P: 1.2208209
• Molar Refractivity: 73.7898 cm^3
• Polarizability: 27.897778 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.24
• LOG S: -2.32
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3