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

• ChemBase ID: 263259
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: c1c(noc1N)C1CCCC1
• Canonical SMILES: Nc1onc(c1)C1CCCC1
• InChI: InChI=1S/C8H12N2O/c9-8-5-7(10-11-8)6-3-1-2-4-6/h5-6H,1-4,9H2
• InChIKey: ORMWCDFIRFXZJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11187391
• PubChem SID: 164319169
• PubChem CID: 13377310

CALCULATED PROPERTIES

• Acid pKa: 15.989474
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.397928
• LogD (pH = 7.4): 1.3984532
• Log P: 1.39846
• Molar Refractivity: 42.6464 cm^3
• Polarizability: 15.858924 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102 - 104°C
• Hydrophobicity(logP): 1.6

Product Information

• Purity: 95%