3-methoxy-4-(1,3-oxazol-5-yl)aniline

• ChemBase ID: 294406
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: Nc1ccc(c2cnco2)c(OC)c1
• Canonical SMILES: COc1cc(N)ccc1c1cnco1
• InChI: InChI=1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3
• InChIKey: KYCMMXMEXWSPCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-4-(1,3-oxazol-5-yl)aniline
• IUPAC Traditional name: 3-methoxy-4-(1,3-oxazol-5-yl)aniline
• Synonyms: 3-Methoxy-4-(oxazol-5-yl)aniline

Database IDs

• CAS Number: 198821-79-3
• MDL Number: MFCD03844645
• PubChem SID: 180679937
• PubChem CID: 15462732

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.49506414
• LogD (pH = 7.4): 0.4957576
• Log P: 0.49576646
• Molar Refractivity: 52.9447 cm^3
• Polarizability: 20.91645 Å^3
• Polar Surface Area: 61.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%