3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine

• ChemBase ID: 548289
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: c1(noc(c1)c1ccccc1)C(=O)N1CC(c2n(CC3CC3)ccn2)CCC1
• Canonical SMILES: O=C(c1noc(c1)c1ccccc1)N1CCCC(C1)c1nccn1CC1CC1
• InChI: InChI=1S/C22H24N4O2/c27-22(19-13-20(28-24-19)17-5-2-1-3-6-17)26-11-4-7-18(15-26)21-23-10-12-25(21)14-16-8-9-16/h1-3,5-6,10,12-13,16,18H,4,7-9,11,14-15H2
• InChIKey: ONKVARVUIXUEAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine
• IUPAC Traditional name: 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine
• Synonyms: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[(5-phenylisoxazol-3-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.356681
• LogD (pH = 7.4): 2.9945347
• Log P: 3.023318
• Molar Refractivity: 106.8899 cm^3
• Polarizability: 41.550694 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.29
• LOG S: -3.05
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5