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

• ChemBase ID: 477618
• Molecular Formular: C18H15N3O2
• Molecular Mass: 305.3306
• Monoisotopic Mass: 305.11642674
• SMILES: c1(C(=O)N2CC(C2)c2cnccc2)noc(c1)c1ccccc1
• Canonical SMILES: O=C(c1noc(c1)c1ccccc1)N1CC(C1)c1cccnc1
• InChI: InChI=1S/C18H15N3O2/c22-18(21-11-15(12-21)14-7-4-8-19-10-14)16-9-17(23-20-16)13-5-2-1-3-6-13/h1-10,15H,11-12H2
• InChIKey: IUUVRXABOCQWCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7881281
• LogD (pH = 7.4): 1.8715463
• Log P: 1.8727504
• Molar Refractivity: 86.2644 cm^3
• Polarizability: 33.5981 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