1-(2-{[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]amino}ethyl)imidazolidin-2-one

• ChemBase ID: 350173
• Molecular Formular: C15H18N6O2
• Molecular Mass: 314.34242
• Monoisotopic Mass: 314.14912385
• SMILES: n1c(noc1c1cnc(NCCN2C(=O)NCC2)cc1)C1CC1
• Canonical SMILES: O=C1NCCN1CCNc1ccc(cn1)c1onc(n1)C1CC1
• InChI: InChI=1S/C15H18N6O2/c22-15-17-6-8-21(15)7-5-16-12-4-3-11(9-18-12)14-19-13(20-23-14)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,16,18)(H,17,22)
• InChIKey: SSXNNRJDDWQOCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]amino}ethyl)imidazolidin-2-one
• IUPAC Traditional name: 1-(2-{[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]amino}ethyl)imidazolidin-2-one
• Synonyms: 1-(2-{[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino}ethyl)-2-imidazolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.7805395
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.005273
• LogD (pH = 7.4): 1.1251343
• Log P: 1.1269108
• Molar Refractivity: 96.0444 cm^3
• Polarizability: 31.553413 Å^3
• Polar Surface Area: 96.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.76
• LOG S: -4.59
• Polar Surface Area: 96.18 Å^2
• Rotatable Bonds: 6