ethyl({[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl})(oxolan-2-ylmethyl)amine

• ChemBase ID: 616829
• Molecular Formular: C17H24N2O2S
• Molecular Mass: 320.44966
• Monoisotopic Mass: 320.15584902
• SMILES: n1c(c2sc(cc2)C)oc(c1CN(CC1OCCC1)CC)C
• Canonical SMILES: CCN(Cc1nc(oc1C)c1ccc(s1)C)CC1CCCO1
• InChI: InChI=1S/C17H24N2O2S/c1-4-19(10-14-6-5-9-20-14)11-15-13(3)21-17(18-15)16-8-7-12(2)22-16/h7-8,14H,4-6,9-11H2,1-3H3
• InChIKey: ZPKYYTYTOHGMGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl({[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl})(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: ethyl({[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl})(oxolan-2-ylmethyl)amine
• Synonyms: N-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-N-(tetrahydro-2-furanylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3148469
• LogD (pH = 7.4): 2.9740827
• Log P: 3.3607433
• Molar Refractivity: 99.9887 cm^3
• Polarizability: 35.001846 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.81
• LOG S: -3.24
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5