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

• ChemBase ID: 234461
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: c1c(onc1CCC)N
• Canonical SMILES: CCCc1cc(on1)N
• InChI: InChI=1S/C6H10N2O/c1-2-3-5-4-6(7)9-8-5/h4H,2-3,7H2,1H3
• InChIKey: NORVABBMTGHGCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05270911
• PubChem SID: 164290371
• PubChem CID: 2104061

CALCULATED PROPERTIES

• Log P: 0.8746309
• Molar Refractivity: 35.2731 cm^3
• Polarizability: 12.910783 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 16.018738
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.87386495
• LogD (pH = 7.4): 0.8746213

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 1.096

Product Information

• Purity: 95%