(5-phenyl-1,3-oxazol-4-yl)methanamine

• ChemBase ID: 236291
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(c(nco1)CN)c1ccccc1
• Canonical SMILES: NCc1ncoc1c1ccccc1
• InChI: InChI=1S/C10H10N2O/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h1-5,7H,6,11H2
• InChIKey: WDSJMHVEHRAEBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-phenyl-1,3-oxazol-4-yl)methanamine
• IUPAC Traditional name: (5-phenyl-1,3-oxazol-4-yl)methanamine
• Synonyms: (5-phenyl-1,3-oxazol-4-yl)methanamine

Database IDs

• MDL Number: MFCD11520928
• PubChem SID: 164292201
• PubChem CID: 55275031

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0519564
• LogD (pH = 7.4): -0.48582447
• Log P: 0.689604
• Molar Refractivity: 49.7323 cm^3
• Polarizability: 20.658106 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.571

Product Information

• Purity: 95%