1-(morpholin-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1-carboxamide

• ChemBase ID: 687600
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: n1c(oc(n1)CNC(=O)C1(N2CCOCC2)CCCCC1)c1ccccc1
• Canonical SMILES: O=C(C1(CCCCC1)N1CCOCC1)NCc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C20H26N4O3/c25-19(20(9-5-2-6-10-20)24-11-13-26-14-12-24)21-15-17-22-23-18(27-17)16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H,21,25)
• InChIKey: FKNRDZNGMCYZOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1-carboxamide
• IUPAC Traditional name: 1-(morpholin-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1-carboxamide
• Synonyms: 1-morpholin-4-yl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.656321
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8720431
• LogD (pH = 7.4): 1.6675382
• Log P: 1.697653
• Molar Refractivity: 112.8869 cm^3
• Polarizability: 39.79018 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.08
• LOG S: -2.82
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5