(diethyl-1,2-oxazol-4-yl)methanamine

• ChemBase ID: 236726
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: c1(c(onc1CC)CC)CN
• Canonical SMILES: NCc1c(CC)onc1CC
• InChI: InChI=1S/C8H14N2O/c1-3-7-6(5-9)8(4-2)11-10-7/h3-5,9H2,1-2H3
• InChIKey: WTCICVGKGDKXTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diethyl-1,2-oxazol-4-yl)methanamine
• IUPAC Traditional name: (diethyl-1,2-oxazol-4-yl)methanamine
• Synonyms: (3,5-diethyl-1,2-oxazol-4-yl)methanamine

Database IDs

• MDL Number: MFCD21828524
• PubChem SID: 164292636
• PubChem CID: 71755768

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6828524
• LogD (pH = 7.4): -0.08415618
• Log P: 1.0175494
• Molar Refractivity: 44.8655 cm^3
• Polarizability: 16.882809 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.569

Product Information

• Purity: 95%