[1-(4-chlorophenyl)ethyl][(dimethyl-1,3-oxazol-2-yl)methyl]amine

• ChemBase ID: 240855
• Molecular Formular: C14H17ClN2O
• Molecular Mass: 264.75058
• Monoisotopic Mass: 264.10294085
• SMILES: n1c(c(oc1CNC(c1ccc(cc1)Cl)C)C)C
• Canonical SMILES: Clc1ccc(cc1)C(NCc1oc(c(n1)C)C)C
• InChI: InChI=1S/C14H17ClN2O/c1-9-11(3)18-14(17-9)8-16-10(2)12-4-6-13(15)7-5-12/h4-7,10,16H,8H2,1-3H3
• InChIKey: JUYVDPQBRHYWRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-chlorophenyl)ethyl][(dimethyl-1,3-oxazol-2-yl)methyl]amine
• IUPAC Traditional name: [1-(4-chlorophenyl)ethyl][(dimethyl-1,3-oxazol-2-yl)methyl]amine
• Synonyms: [1-(4-chlorophenyl)ethyl][(dimethyl-1,3-oxazol-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD16190435
• PubChem SID: 164296765
• PubChem CID: 54965399

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2997055
• LogD (pH = 7.4): 2.5239859
• Log P: 2.6226768
• Molar Refractivity: 72.9198 cm^3
• Polarizability: 28.337723 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.857

Product Information

• Purity: 95%