N-cyclohexyl-3-({[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}amino)propanamide

• ChemBase ID: 836699
• Molecular Formular: C20H27N5O3
• Molecular Mass: 385.46008
• Monoisotopic Mass: 385.21138975
• SMILES: c1(nc(no1)CC)c1c(NC(=O)NCCC(=O)NC2CCCCC2)cccc1
• Canonical SMILES: CCc1noc(n1)c1ccccc1NC(=O)NCCC(=O)NC1CCCCC1
• InChI: InChI=1S/C20H27N5O3/c1-2-17-24-19(28-25-17)15-10-6-7-11-16(15)23-20(27)21-13-12-18(26)22-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,22,26)(H2,21,23,27)
• InChIKey: FTENOHYVAVSSAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-({[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}amino)propanamide
• IUPAC Traditional name: N-cyclohexyl-3-({[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}amino)propanamide
• Synonyms: N~1~-cyclohexyl-N~3~-({[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]amino}carbonyl)-beta-alaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.122566
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 3.1562917
• LogD (pH = 7.4): 3.156284
• Log P: 3.1562922
• Molar Refractivity: 117.9805 cm^3
• Polarizability: 40.572884 Å^3
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 3.6
• LOG S: -5.08
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 7