1'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[indene-1,4'-piperidine]

• ChemBase ID: 691657
• Molecular Formular: C18H20N2O
• Molecular Mass: 280.3642
• Monoisotopic Mass: 280.15756327
• SMILES: c1(onc(c1)C)CN1CCC2(C=Cc3c2cccc3)CC1
• Canonical SMILES: Cc1noc(c1)CN1CCC2(CC1)C=Cc1c2cccc1
• InChI: InChI=1S/C18H20N2O/c1-14-12-16(21-19-14)13-20-10-8-18(9-11-20)7-6-15-4-2-3-5-17(15)18/h2-7,12H,8-11,13H2,1H3
• InChIKey: RTTUBJJZPQWHDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[indene-1,4'-piperidine]
• IUPAC Traditional name: 1'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[indene-1,4'-piperidine]
• Synonyms: 1'-[(3-methylisoxazol-5-yl)methyl]spiro[indene-1,4'-piperidine]

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2080709
• LogD (pH = 7.4): 1.542127
• Log P: 2.6722693
• Molar Refractivity: 86.128 cm^3
• Polarizability: 32.30467 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.54
• LOG S: -2.41
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 2