6-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]quinoxaline

• ChemBase ID: 554042
• Molecular Formular: C21H17N5O2
• Molecular Mass: 371.39198
• Monoisotopic Mass: 371.13822481
• SMILES: n1c(onc1c1ccccc1)C1N(C(=O)c2cc3nccnc3cc2)CCC1
• Canonical SMILES: O=C(N1CCCC1c1onc(n1)c1ccccc1)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C21H17N5O2/c27-21(15-8-9-16-17(13-15)23-11-10-22-16)26-12-4-7-18(26)20-24-19(25-28-20)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2
• InChIKey: WIWNERMQMRUISE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 6-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]quinoxaline
• Synonyms: 6-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1473792
• LogD (pH = 7.4): 3.147396
• Log P: 3.1473963
• Molar Refractivity: 113.5753 cm^3
• Polarizability: 40.504444 Å^3
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.63
• LOG S: -3.3
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 3