3-(2-methoxyphenyl)-1,2-oxazol-5-amine

• ChemBase ID: 266685
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c1(cc(on1)N)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1noc(c1)N
• InChI: InChI=1S/C10H10N2O2/c1-13-9-5-3-2-4-7(9)8-6-10(11)14-12-8/h2-6H,11H2,1H3
• InChIKey: YRUCDBOUZRQRKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-1,2-oxazol-5-amine
• IUPAC Traditional name: 3-(2-methoxyphenyl)-1,2-oxazol-5-amine
• Synonyms: 3-(2-methoxyphenyl)-1,2-oxazol-5-amine

Database IDs

• MDL Number: MFCD07383032
• PubChem SID: 164322595
• PubChem CID: 4313333

CALCULATED PROPERTIES

• Acid pKa: 15.7204
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.473517
• LogD (pH = 7.4): 1.4735601
• Log P: 1.4735607
• Molar Refractivity: 52.6811 cm^3
• Polarizability: 20.916155 Å^3
• Polar Surface Area: 61.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 1.323

Product Information

• Purity: 95%