1-{5-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-2-methylphenyl}imidazolidin-2-one

• ChemBase ID: 533359
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c1(nc(no1)CC)[C@H]1N(C(=O)c2cc(N3C(=O)NCC3)c(cc2)C)CCC1
• Canonical SMILES: CCc1noc(n1)[C@@H]1CCCN1C(=O)c1ccc(c(c1)N1CCNC1=O)C
• InChI: InChI=1S/C19H23N5O3/c1-3-16-21-17(27-22-16)14-5-4-9-23(14)18(25)13-7-6-12(2)15(11-13)24-10-8-20-19(24)26/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,20,26)/t14-/m0/s1
• InChIKey: WAORYRMZRJGSKO-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-2-methylphenyl}imidazolidin-2-one
• IUPAC Traditional name: 1-{5-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-2-methylphenyl}imidazolidin-2-one
• Synonyms: 1-(5-{[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}-2-methylphenyl)-2-imidazolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1076336
• LogD (pH = 7.4): 2.1076338
• Log P: 2.1076338
• Molar Refractivity: 100.6476 cm^3
• Polarizability: 37.066734 Å^3
• Polar Surface Area: 91.57 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: -0.64
• LOG S: -2.66
• Polar Surface Area: 91.57 Å^2
• Rotatable Bonds: 4