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

• ChemBase ID: 241394
• Molecular Formular: C16H22N2O
• Molecular Mass: 258.35868
• Monoisotopic Mass: 258.17321333
• SMILES: n1c(c(oc1CNC(c1ccc(cc1)CC)C)C)C
• Canonical SMILES: CCc1ccc(cc1)C(NCc1oc(c(n1)C)C)C
• InChI: InChI=1S/C16H22N2O/c1-5-14-6-8-15(9-7-14)12(3)17-10-16-18-11(2)13(4)19-16/h6-9,12,17H,5,10H2,1-4H3
• InChIKey: DBVBSLDCXYWWGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12904046
• PubChem SID: 164297304
• PubChem CID: 54896823

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5053763
• LogD (pH = 7.4): 2.841192
• Log P: 2.976622
• Molar Refractivity: 77.7572 cm^3
• Polarizability: 30.090582 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.172

Product Information

• Purity: 95%