N-benzyl-N-[(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-propyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 631623
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c1(C(=O)N([C@@H]2C[C@H]3N([C@@H](C2)CC3)C)Cc2ccccc2)noc(c1)CCC
• Canonical SMILES: CCCc1onc(c1)C(=O)N([C@@H]1C[C@@H]2CC[C@H](C1)N2C)Cc1ccccc1
• InChI: InChI=1S/C22H29N3O2/c1-3-7-20-14-21(23-27-20)22(26)25(15-16-8-5-4-6-9-16)19-12-17-10-11-18(13-19)24(17)2/h4-6,8-9,14,17-19H,3,7,10-13,15H2,1-2H3/t17-,18+,19+
• InChIKey: REZVIVYEDZRSEI-BWTSREIZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-propyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-benzyl-N-[(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-propyl-1,2-oxazole-3-carboxamide
• Synonyms: N-benzyl-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-5-propyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2752066
• LogD (pH = 7.4): 1.8787732
• Log P: 3.4648972
• Molar Refractivity: 107.2196 cm^3
• Polarizability: 40.833473 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.61
• LOG S: -4.11
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6