N-methyl-4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 666732
• Molecular Formular: C19H19N5O2
• Molecular Mass: 349.38646
• Monoisotopic Mass: 349.15387487
• SMILES: n1c(onc1c1ccccc1)C1N(C(=O)c2cc(ncc2)NC)CCC1
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCCC1c1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H19N5O2/c1-20-16-12-14(9-10-21-16)19(25)24-11-5-8-15(24)18-22-17(23-26-18)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,20,21)
• InChIKey: ZBZDRUZDTTWQET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-methyl-4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-methyl-4-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]carbonyl}pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7029355
• LogD (pH = 7.4): 2.7878518
• Log P: 2.789055
• Molar Refractivity: 110.5333 cm^3
• Polarizability: 36.868122 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.33
• LOG S: -3.73
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 4