3-[1-(3-phenyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyridine

• ChemBase ID: 573119
• Molecular Formular: C18H15N3O2
• Molecular Mass: 305.3306
• Monoisotopic Mass: 305.11642674
• SMILES: c1(C(=O)N2CC(C2)c2cnccc2)c(noc1)c1ccccc1
• Canonical SMILES: O=C(c1conc1c1ccccc1)N1CC(C1)c1cccnc1
• InChI: InChI=1S/C18H15N3O2/c22-18(21-10-15(11-21)14-7-4-8-19-9-14)16-12-23-20-17(16)13-5-2-1-3-6-13/h1-9,12,15H,10-11H2
• InChIKey: ZFLZYSOYIKJUSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(3-phenyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyridine
• IUPAC Traditional name: 3-[1-(3-phenyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]pyridine
• Synonyms: 3-{1-[(3-phenyl-4-isoxazolyl)carbonyl]-3-azetidinyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8681269
• LogD (pH = 7.4): 1.9515451
• Log P: 1.9527493
• Molar Refractivity: 86.3869 cm^3
• Polarizability: 33.59205 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: -0.36
• LOG S: -1.13
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3