4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

• ChemBase ID: 566910
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: n1c(noc1C1CC1)c1ccc(C(=O)NC(c2nc(no2)CCC)C)cc1
• Canonical SMILES: CCCc1noc(n1)C(NC(=O)c1ccc(cc1)c1noc(n1)C1CC1)C
• InChI: InChI=1S/C19H21N5O3/c1-3-4-15-21-18(26-23-15)11(2)20-17(25)13-7-5-12(6-8-13)16-22-19(27-24-16)14-9-10-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,20,25)
• InChIKey: OUXSMRPFLMXBQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
• Synonyms: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.927968
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.9087508
• LogD (pH = 7.4): 3.9087508
• Log P: 3.9087508
• Molar Refractivity: 110.8021 cm^3
• Polarizability: 37.146404 Å^3
• Polar Surface Area: 106.94 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: 2.82
• LOG S: -4.29
• Polar Surface Area: 106.94 Å^2
• Rotatable Bonds: 7