N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine

• ChemBase ID: 798452
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: O1C(=NCC1)NC(C1CC1)C1CC1
• Canonical SMILES: C1CN=C(O1)NC(C1CC1)C1CC1
• InChI: InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)
• InChIKey: CQXADFVORZEARL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
• IUPAC Traditional name: hyperium
• Synonyms: n-(dicyclopropylmethyl)-4,5-dihydro-2-oxazolamine

Database IDs

• CAS Number: 54187-04-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.022771738
• LogD (pH = 7.4): 1.3989831
• Log P: 1.5764464
• Molar Refractivity: 49.7941 cm^3
• Polarizability: 19.522322 Å^3
• Polar Surface Area: 33.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%