2-(2-methoxyethyl)-1,3-benzoxazol-5-amine

• ChemBase ID: 236323
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: n1c(oc2c1cc(N)cc2)CCOC
• Canonical SMILES: COCCc1nc2c(o1)ccc(c2)N
• InChI: InChI=1S/C10H12N2O2/c1-13-5-4-10-12-8-6-7(11)2-3-9(8)14-10/h2-3,6H,4-5,11H2,1H3
• InChIKey: JFQLYTZOVBBXDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-1,3-benzoxazol-5-amine
• IUPAC Traditional name: 2-(2-methoxyethyl)-1,3-benzoxazol-5-amine
• Synonyms: 2-(2-methoxyethyl)-1,3-benzoxazol-5-amine

Database IDs

• MDL Number: MFCD16808855
• PubChem SID: 164292233
• PubChem CID: 62589496

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.67584646
• LogD (pH = 7.4): 0.67688215
• Log P: 0.6768954
• Molar Refractivity: 53.017 cm^3
• Polarizability: 21.09168 Å^3
• Polar Surface Area: 61.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C
• Hydrophobicity(logP): 0.54

Product Information

• Purity: 95%