[1,3]oxazolo[4,5-c]pyridin-2-amine

• ChemBase ID: 291901
• Molecular Formular: C6H5N3O
• Molecular Mass: 135.1234
• Monoisotopic Mass: 135.0432618
• SMILES: Nc1nc2c(o1)ccnc2
• Canonical SMILES: Nc1nc2c(o1)ccnc2
• InChI: InChI=1S/C6H5N3O/c7-6-9-4-3-8-2-1-5(4)10-6/h1-3H,(H2,7,9)
• InChIKey: FJHYVYMTPVSYDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3]oxazolo[4,5-c]pyridin-2-amine
• IUPAC Traditional name: [1,3]oxazolo[4,5-c]pyridin-2-amine
• Synonyms: Oxazolo[4,5-c]pyridin-2-amine

Database IDs

• CAS Number: 114498-55-4
• MDL Number: MFCD15526655
• PubChem SID: 180677432
• PubChem CID: 14252936

CALCULATED PROPERTIES

• Acid pKa: 14.262552
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.042501513
• LogD (pH = 7.4): -0.04248326
• Log P: -0.04248297
• Molar Refractivity: 34.7399 cm^3
• Polarizability: 14.06873 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%