2-cyclohexyl-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3-benzoxazole-6-carboxamide

• ChemBase ID: 562647
• Molecular Formular: C20H24N4O4
• Molecular Mass: 384.42896
• Monoisotopic Mass: 384.17975527
• SMILES: n1c(oc2c1ccc(C(=O)NCCc1nc(no1)COC)c2)C1CCCCC1
• Canonical SMILES: COCc1noc(n1)CCNC(=O)c1ccc2c(c1)oc(n2)C1CCCCC1
• InChI: InChI=1S/C20H24N4O4/c1-26-12-17-23-18(28-24-17)9-10-21-19(25)14-7-8-15-16(11-14)27-20(22-15)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,21,25)
• InChIKey: HQJLYDDMHZUREL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3-benzoxazole-6-carboxamide
• IUPAC Traditional name: 2-cyclohexyl-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3-benzoxazole-6-carboxamide
• Synonyms: 2-cyclohexyl-N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3-benzoxazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.45586
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.8387992
• LogD (pH = 7.4): 2.8388026
• Log P: 2.8388026
• Molar Refractivity: 102.674 cm^3
• Polarizability: 39.6936 Å^3
• Polar Surface Area: 103.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.23
• LOG S: -3.91
• Polar Surface Area: 103.28 Å^2
• Rotatable Bonds: 7