4-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine

• ChemBase ID: 576013
• Molecular Formular: C14H16N4O2
• Molecular Mass: 272.30244
• Monoisotopic Mass: 272.12732577
• SMILES: c1(nc(no1)CC)[C@H]1N(C(=O)c2ccncc2)CCC1
• Canonical SMILES: CCc1noc(n1)[C@@H]1CCCN1C(=O)c1ccncc1
• InChI: InChI=1S/C14H16N4O2/c1-2-12-16-13(20-17-12)11-4-3-9-18(11)14(19)10-5-7-15-8-6-10/h5-8,11H,2-4,9H2,1H3/t11-/m0/s1
• InChIKey: NBGTUHWWLZJCTG-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine
• IUPAC Traditional name: 4-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine
• Synonyms: 4-{[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4089543
• LogD (pH = 7.4): 1.4116629
• Log P: 1.4116976
• Molar Refractivity: 73.8662 cm^3
• Polarizability: 27.256763 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.73
• LOG S: -1.87
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3