3-pentyl-1,2-oxazol-5-amine

• ChemBase ID: 266836
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: c1c(onc1CCCCC)N
• Canonical SMILES: CCCCCc1cc(on1)N
• InChI: InChI=1S/C8H14N2O/c1-2-3-4-5-7-6-8(9)11-10-7/h6H,2-5,9H2,1H3
• InChIKey: SWUFZCKNJXQAAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-pentyl-1,2-oxazol-5-amine
• IUPAC Traditional name: 3-pentyl-1,2-oxazol-5-amine
• Synonyms: 3-pentyl-1,2-oxazol-5-amine

Database IDs

• MDL Number: MFCD11194852
• PubChem SID: 164322746
• PubChem CID: 28980024

CALCULATED PROPERTIES

• Acid pKa: 16.018349
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7630067
• LogD (pH = 7.4): 1.7637587
• Log P: 1.7637683
• Molar Refractivity: 44.4751 cm^3
• Polarizability: 16.578907 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40 - 42°C
• Hydrophobicity(logP): 2.154

Product Information

• Purity: 95%