2-cyclopropyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,3-benzoxazole

• ChemBase ID: 371080
• Molecular Formular: C20H19N3O4
• Molecular Mass: 365.38256
• Monoisotopic Mass: 365.1375561
• SMILES: c1(nc2c(o1)cc(C(=O)N1CCN(C(=O)c3occc3)CC1)cc2)C1CC1
• Canonical SMILES: O=C(c1ccc2c(c1)oc(n2)C1CC1)N1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C20H19N3O4/c24-19(14-5-6-15-17(12-14)27-18(21-15)13-3-4-13)22-7-9-23(10-8-22)20(25)16-2-1-11-26-16/h1-2,5-6,11-13H,3-4,7-10H2
• InChIKey: DFEYKEUEDLWSDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,3-benzoxazole
• IUPAC Traditional name: 2-cyclopropyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,3-benzoxazole
• Synonyms: 2-cyclopropyl-6-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5091506
• LogD (pH = 7.4): 1.5091537
• Log P: 1.5091538
• Molar Refractivity: 96.8175 cm^3
• Polarizability: 37.345543 Å^3
• Polar Surface Area: 79.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.4
• LOG S: -3.55
• Polar Surface Area: 79.79 Å^2
• Rotatable Bonds: 3