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

• ChemBase ID: 689507
• Molecular Formular: C23H25N3O4
• Molecular Mass: 407.4623
• Monoisotopic Mass: 407.1845063
• SMILES: n1c(oc2c1ccc(C(=O)N1CCN(C(=O)c3occc3)CC1)c2)C1CCCCC1
• Canonical SMILES: O=C(c1ccc2c(c1)oc(n2)C1CCCCC1)N1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C23H25N3O4/c27-22(25-10-12-26(13-11-25)23(28)19-7-4-14-29-19)17-8-9-18-20(15-17)30-21(24-18)16-5-2-1-3-6-16/h4,7-9,14-16H,1-3,5-6,10-13H2
• InChIKey: WBWUUFNKCCJOKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8428566
• LogD (pH = 7.4): 2.8428597
• Log P: 2.8428597
• Molar Refractivity: 110.6205 cm^3
• Polarizability: 42.853436 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: 3.07
• LOG S: -4.88
• Polar Surface Area: 79.79 Å^2
• Rotatable Bonds: 3