2-methoxy-1,3-benzoxazol-5-amine

• ChemBase ID: 235768
• Molecular Formular: C8H8N2O2
• Molecular Mass: 164.16132
• Monoisotopic Mass: 164.05857751
• SMILES: n1c(oc2c1cc(N)cc2)OC
• Canonical SMILES: COc1nc2c(o1)ccc(c2)N
• InChI: InChI=1S/C8H8N2O2/c1-11-8-10-6-4-5(9)2-3-7(6)12-8/h2-4H,9H2,1H3
• InChIKey: UWCRCZVUSNLHCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-1,3-benzoxazol-5-amine
• IUPAC Traditional name: 2-methoxy-1,3-benzoxazol-5-amine
• Synonyms: 2-methoxy-1,3-benzoxazol-5-amine

Database IDs

• MDL Number: MFCD22196449
• PubChem SID: 164291678
• PubChem CID: 71755578

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0169111
• LogD (pH = 7.4): 1.0175105
• Log P: 1.0175182
• Molar Refractivity: 43.36 cm^3
• Polarizability: 17.480541 Å^3
• Polar Surface Area: 61.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 1.692

Product Information

• Purity: 95%