4-(1-{[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)morpholine

• ChemBase ID: 428835
• Molecular Formular: C19H27N3O2S
• Molecular Mass: 361.50158
• Monoisotopic Mass: 361.18239812
• SMILES: c1(nc(c(o1)C)CN1CCC(N2CCOCC2)CC1)c1c(ccs1)C
• Canonical SMILES: Cc1oc(nc1CN1CCC(CC1)N1CCOCC1)c1sccc1C
• InChI: InChI=1S/C19H27N3O2S/c1-14-5-12-25-18(14)19-20-17(15(2)24-19)13-21-6-3-16(4-7-21)22-8-10-23-11-9-22/h5,12,16H,3-4,6-11,13H2,1-2H3
• InChIKey: RKXWVSHJELFBGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)morpholine
• IUPAC Traditional name: 4-(1-{[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)morpholine
• Synonyms: 4-(1-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-4-piperidinyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7192854
• LogD (pH = 7.4): 1.3995246
• Log P: 2.2612126
• Molar Refractivity: 111.4959 cm^3
• Polarizability: 39.479877 Å^3
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.24
• LOG S: -1.8
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 4