{[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl}(oxolan-2-ylmethyl)propylamine

• ChemBase ID: 365624
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: c1(nc(c(o1)C)CN(CC1OCCC1)CCC)c1cocc1
• Canonical SMILES: CCCN(Cc1nc(oc1C)c1cocc1)CC1CCCO1
• InChI: InChI=1S/C17H24N2O3/c1-3-7-19(10-15-5-4-8-21-15)11-16-13(2)22-17(18-16)14-6-9-20-12-14/h6,9,12,15H,3-5,7-8,10-11H2,1-2H3
• InChIKey: HMDGQQUSQRRGKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl}(oxolan-2-ylmethyl)propylamine
• IUPAC Traditional name: {[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl}(oxolan-2-ylmethyl)propylamine
• Synonyms: N-{[2-(3-furyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(tetrahydro-2-furanylmethyl)-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2545834
• LogD (pH = 7.4): 2.0001187
• Log P: 2.6005023
• Molar Refractivity: 95.0799 cm^3
• Polarizability: 33.28536 Å^3
• Polar Surface Area: 51.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.89
• LOG S: -2.01
• Polar Surface Area: 51.64 Å^2
• Rotatable Bonds: 5