5-phenyl-1,2-oxazol-4-amine

• ChemBase ID: 245756
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: c1(c(cno1)N)c1ccccc1
• Canonical SMILES: Nc1cnoc1c1ccccc1
• InChI: InChI=1S/C9H8N2O/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,10H2
• InChIKey: NZGAQXMCAGAMNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-1,2-oxazol-4-amine
• IUPAC Traditional name: 5-phenyl-1,2-oxazol-4-amine
• Synonyms: 5-phenyl-1,2-oxazol-4-amine

Database IDs

• MDL Number: MFCD16878772
• PubChem SID: 164301666
• PubChem CID: 45117984

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0760909
• LogD (pH = 7.4): 1.0760918
• Log P: 1.0760918
• Molar Refractivity: 47.2141 cm^3
• Polarizability: 18.406122 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.867

Product Information

• Purity: 95%