2-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyridine

• ChemBase ID: 505421
• Molecular Formular: C18H15N3O2
• Molecular Mass: 305.3306
• Monoisotopic Mass: 305.11642674
• SMILES: c1(C(=O)N2CC(C2)c2ncccc2)noc(c1)c1ccccc1
• Canonical SMILES: O=C(c1noc(c1)c1ccccc1)N1CC(C1)c1ccccn1
• InChI: InChI=1S/C18H15N3O2/c22-18(21-11-14(12-21)15-8-4-5-9-19-15)16-10-17(23-20-16)13-6-2-1-3-7-13/h1-10,14H,11-12H2
• InChIKey: OLBBQKBJPWDHFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyridine
• IUPAC Traditional name: 2-[1-(5-phenyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyridine
• Synonyms: 2-{1-[(5-phenyl-3-isoxazolyl)carbonyl]-3-azetidinyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1619644
• LogD (pH = 7.4): 2.1945057
• Log P: 2.194938
• Molar Refractivity: 85.7343 cm^3
• Polarizability: 33.59872 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.24
• LOG S: -1.64
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3