N-{2-[(2-cyclohexyl-1,3-benzoxazol-6-yl)formamido]ethyl}acetamide

• ChemBase ID: 763062
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: n1c(oc2c1ccc(C(=O)NCCNC(=O)C)c2)C1CCCCC1
• Canonical SMILES: CC(=O)NCCNC(=O)c1ccc2c(c1)oc(n2)C1CCCCC1
• InChI: InChI=1S/C18H23N3O3/c1-12(22)19-9-10-20-17(23)14-7-8-15-16(11-14)24-18(21-15)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,22)(H,20,23)
• InChIKey: KYRNIORLJBTGFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(2-cyclohexyl-1,3-benzoxazol-6-yl)formamido]ethyl}acetamide
• IUPAC Traditional name: N-{2-[(2-cyclohexyl-1,3-benzoxazol-6-yl)formamido]ethyl}acetamide
• Synonyms: N-[2-(acetylamino)ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.330161
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6526082
• LogD (pH = 7.4): 1.6526114
• Log P: 1.6526115
• Molar Refractivity: 89.7347 cm^3
• Polarizability: 35.479404 Å^3
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.48
• LOG S: -4.19
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 5