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

• ChemBase ID: 400824
• Molecular Formular: C20H25ClN2O2
• Molecular Mass: 360.8777
• Monoisotopic Mass: 360.16045573
• SMILES: n1c(c(oc1c1ccc(cc1)Cl)C)CN(CC1CC1)CC1OCCC1
• Canonical SMILES: Clc1ccc(cc1)c1oc(c(n1)CN(CC1CCCO1)CC1CC1)C
• InChI: InChI=1S/C20H25ClN2O2/c1-14-19(22-20(25-14)16-6-8-17(21)9-7-16)13-23(11-15-4-5-15)12-18-3-2-10-24-18/h6-9,15,18H,2-5,10-13H2,1H3
• InChIKey: NIAHWNOEAGWTLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4640965
• LogD (pH = 7.4): 3.2318096
• Log P: 3.9655485
• Molar Refractivity: 110.0407 cm^3
• Polarizability: 39.387066 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.36
• LOG S: -4.05
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 7