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

• ChemBase ID: 267879
• Molecular Formular: C7H7N3O
• Molecular Mass: 149.14998
• Monoisotopic Mass: 149.05891186
• SMILES: c12c(onc1C)ncc(c2)N
• Canonical SMILES: Nc1cnc2c(c1)c(C)no2
• InChI: InChI=1S/C7H7N3O/c1-4-6-2-5(8)3-9-7(6)11-10-4/h2-3H,8H2,1H3
• InChIKey: STMMTDVYTGRAMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09701862
• PubChem SID: 164323789
• PubChem CID: 25247887

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19109897
• LogD (pH = 7.4): -0.19109708
• Log P: -0.19109707
• Molar Refractivity: 40.9153 cm^3
• Polarizability: 15.180649 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 0.832

Product Information

• Purity: 95%