3-(5-phenyl-1,2-oxazol-3-yl)pyridine

• ChemBase ID: 185019
• Molecular Formular: C14H10N2O
• Molecular Mass: 222.242
• Monoisotopic Mass: 222.07931295
• SMILES: n1c(cc(o1)c1ccccc1)c1cnccc1
• Canonical SMILES: c1ccc(cc1)c1onc(c1)c1cccnc1
• InChI: InChI=1S/C14H10N2O/c1-2-5-11(6-3-1)14-9-13(16-17-14)12-7-4-8-15-10-12/h1-10H
• InChIKey: ADEVNZXMBGDRQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-phenyl-1,2-oxazol-3-yl)pyridine
• IUPAC Traditional name: 3-(5-phenyl-1,2-oxazol-3-yl)pyridine

Database IDs

• PubChem SID: 164240929
• PubChem CID: 928838

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7044713
• LogD (pH = 7.4): 2.7202156
• Log P: 2.720421
• Molar Refractivity: 65.121 cm^3
• Polarizability: 27.436409 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds