N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-5-propyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 427498
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: c1(noc(c1)CCC)C(=O)NCC(c1oc(cc1)C)N1CCOCC1
• Canonical SMILES: CCCc1onc(c1)C(=O)NCC(c1ccc(o1)C)N1CCOCC1
• InChI: InChI=1S/C18H25N3O4/c1-3-4-14-11-15(20-25-14)18(22)19-12-16(17-6-5-13(2)24-17)21-7-9-23-10-8-21/h5-6,11,16H,3-4,7-10,12H2,1-2H3,(H,19,22)
• InChIKey: PRFMRUMLBVEQCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-5-propyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]-5-propyl-1,2-oxazole-3-carboxamide
• Synonyms: N-[2-(5-methyl-2-furyl)-2-(4-morpholinyl)ethyl]-5-propyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.390228
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.565761
• LogD (pH = 7.4): 1.8047162
• Log P: 1.8088025
• Molar Refractivity: 94.2948 cm^3
• Polarizability: 35.420036 Å^3
• Polar Surface Area: 80.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.5
• LOG S: -2.16
• Polar Surface Area: 80.74 Å^2
• Rotatable Bonds: 7