methyl({[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl})amine

• ChemBase ID: 307033
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: n1c(cc(o1)CNC)c1ncccc1
• Canonical SMILES: CNCc1onc(c1)c1ccccn1
• InChI: InChI=1S/C10H11N3O/c1-11-7-8-6-10(13-14-8)9-4-2-3-5-12-9/h2-6,11H,7H2,1H3
• InChIKey: YZHJKDVETOQDHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl})amine
• IUPAC Traditional name: methyl({[3-(pyridin-2-yl)-1,2-oxazol-5-yl]methyl})amine
• Synonyms: N-methyl-1-(3-pyridin-2-ylisoxazol-5-yl)methanamine

Database IDs

• MDL Number: MFCD09055284

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6078315
• LogD (pH = 7.4): 0.11671917
• Log P: 1.0173948
• Molar Refractivity: 52.8608 cm^3
• Polarizability: 21.588675 Å^3
• Polar Surface Area: 50.95 Å^2