8-{[3-(3-cyclohexylpyrrolidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy}quinoline

• ChemBase ID: 530845
• Molecular Formular: C24H27N3O3
• Molecular Mass: 405.48948
• Monoisotopic Mass: 405.20524174
• SMILES: c1(C(=O)N2CC(CC2)C2CCCCC2)noc(c1)COc1c2ncccc2ccc1
• Canonical SMILES: O=C(c1noc(c1)COc1cccc2c1nccc2)N1CCC(C1)C1CCCCC1
• InChI: InChI=1S/C24H27N3O3/c28-24(27-13-11-19(15-27)17-6-2-1-3-7-17)21-14-20(30-26-21)16-29-22-10-4-8-18-9-5-12-25-23(18)22/h4-5,8-10,12,14,17,19H,1-3,6-7,11,13,15-16H2
• InChIKey: JLXSHTPTJFPLOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[3-(3-cyclohexylpyrrolidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy}quinoline
• IUPAC Traditional name: 8-{[3-(3-cyclohexylpyrrolidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy}quinoline
• Synonyms: 8-({3-[(3-cyclohexyl-1-pyrrolidinyl)carbonyl]-5-isoxazolyl}methoxy)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.037498
• LogD (pH = 7.4): 4.038418
• Log P: 4.0384297
• Molar Refractivity: 114.0374 cm^3
• Polarizability: 44.83495 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.24
• LOG S: -6.16
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5