(1-{[methyl({[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl})amino]methyl}cyclopentyl)methanol

• ChemBase ID: 863851
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: n1c(occ1CN(CC1(CO)CCCC1)C)C(C)C
• Canonical SMILES: OCC1(CCCC1)CN(Cc1coc(n1)C(C)C)C
• InChI: InChI=1S/C15H26N2O2/c1-12(2)14-16-13(9-19-14)8-17(3)10-15(11-18)6-4-5-7-15/h9,12,18H,4-8,10-11H2,1-3H3
• InChIKey: KYSZRAVQAVNUHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{[methyl({[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl})amino]methyl}cyclopentyl)methanol
• IUPAC Traditional name: [1-({[(2-isopropyl-1,3-oxazol-4-yl)methyl](methyl)amino}methyl)cyclopentyl]methanol
• Synonyms: (1-{[[(2-isopropyl-1,3-oxazol-4-yl)methyl](methyl)amino]methyl}cyclopentyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.071338
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26320934
• LogD (pH = 7.4): 1.8131039
• Log P: 2.071537
• Molar Refractivity: 75.7468 cm^3
• Polarizability: 29.74117 Å^3
• Polar Surface Area: 49.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.67
• LOG S: -1.56
• Polar Surface Area: 49.5 Å^2
• Rotatable Bonds: 6