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

• ChemBase ID: 263363
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1c(noc1N)C1CCC1
• Canonical SMILES: Nc1onc(c1)C1CCC1
• InChI: InChI=1S/C7H10N2O/c8-7-4-6(9-10-7)5-2-1-3-5/h4-5H,1-3,8H2
• InChIKey: GPZWBWQULXMUTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11187392
• PubChem SID: 164319273
• PubChem CID: 28905677

CALCULATED PROPERTIES

• Acid pKa: 15.989473
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9533593
• LogD (pH = 7.4): 0.9538846
• Log P: 0.95389134
• Molar Refractivity: 38.0454 cm^3
• Polarizability: 14.026585 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 1.041

Product Information

• Purity: 95%