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

• ChemBase ID: 554526
• Molecular Formular: C19H17N3O2
• Molecular Mass: 319.35718
• Monoisotopic Mass: 319.1320768
• SMILES: c1(C(=O)N2C(c3ncccc3)CCC2)noc(c1)c1ccccc1
• Canonical SMILES: O=C(N1CCCC1c1ccccn1)c1noc(c1)c1ccccc1
• InChI: InChI=1S/C19H17N3O2/c23-19(16-13-18(24-21-16)14-7-2-1-3-8-14)22-12-6-10-17(22)15-9-4-5-11-20-15/h1-5,7-9,11,13,17H,6,10,12H2
• InChIKey: KDYKFABTYQUWNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.780625
• LogD (pH = 7.4): 2.7947042
• Log P: 2.7948868
• Molar Refractivity: 90.2333 cm^3
• Polarizability: 35.44052 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: 2.52
• LOG S: -2.38
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3