N-[3-(furan-2-amido)-4-methoxyphenyl]-3-(propan-2-yl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 516500
• Molecular Formular: C19H19N3O5
• Molecular Mass: 369.37126
• Monoisotopic Mass: 369.13247072
• SMILES: c1(cc(no1)C(C)C)C(=O)Nc1cc(NC(=O)c2occc2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)c1ccco1)NC(=O)c1onc(c1)C(C)C
• InChI: InChI=1S/C19H19N3O5/c1-11(2)13-10-17(27-22-13)19(24)20-12-6-7-15(25-3)14(9-12)21-18(23)16-5-4-8-26-16/h4-11H,1-3H3,(H,20,24)(H,21,23)
• InChIKey: BCOVIQBFBWGPAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-amido)-4-methoxyphenyl]-3-(propan-2-yl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-amido)-4-methoxyphenyl]-3-isopropyl-1,2-oxazole-5-carboxamide
• Synonyms: N-[3-(2-furoylamino)-4-methoxyphenyl]-3-isopropylisoxazole-5-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 6
• H Donor: 2
• Log P: 1.71
• LOG S: -3.35
• Polar Surface Area: 106.6 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 10.1212015
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7190194
• LogD (pH = 7.4): 2.7182462
• Log P: 2.7190297
• Molar Refractivity: 101.0915 cm^3
• Polarizability: 36.456474 Å^3
• Polar Surface Area: 106.6 Å^2
• Rotatable Bonds: 6