(1S)-1-(1,3-oxazol-2-yl)ethan-1-amine

• ChemBase ID: 277018
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: c1(ncco1)[C@@H](N)C
• Canonical SMILES: C[C@@H](c1ncco1)N
• InChI: InChI=1S/C5H8N2O/c1-4(6)5-7-2-3-8-5/h2-4H,6H2,1H3/t4-/m0/s1
• InChIKey: CWJDVDQXFIORGV-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(1,3-oxazol-2-yl)ethan-1-amine
• IUPAC Traditional name: (1S)-1-(1,3-oxazol-2-yl)ethanamine
• Synonyms: (1S)-1-(1,3-oxazol-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD19686289
• PubChem SID: 164332928
• PubChem CID: 28924825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3228753
• LogD (pH = 7.4): -0.69570273
• Log P: -0.31716368
• Molar Refractivity: 29.0617 cm^3
• Polarizability: 11.5255 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.918

Product Information

• Purity: 95%