2-(2-methoxyethyl)-6-(1,2-oxazolidine-2-carbonyl)-1,3-benzoxazole

• ChemBase ID: 377101
• Molecular Formular: C14H16N2O4
• Molecular Mass: 276.28784
• Monoisotopic Mass: 276.111007
• SMILES: n1c(oc2c1ccc(C(=O)N1OCCC1)c2)CCOC
• Canonical SMILES: COCCc1nc2c(o1)cc(cc2)C(=O)N1CCCO1
• InChI: InChI=1S/C14H16N2O4/c1-18-8-5-13-15-11-4-3-10(9-12(11)20-13)14(17)16-6-2-7-19-16/h3-4,9H,2,5-8H2,1H3
• InChIKey: SKXDEHUAFVLIFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-6-(1,2-oxazolidine-2-carbonyl)-1,3-benzoxazole
• IUPAC Traditional name: 2-(2-methoxyethyl)-6-(1,2-oxazolidine-2-carbonyl)-1,3-benzoxazole
• Synonyms: 6-(2-isoxazolidinylcarbonyl)-2-(2-methoxyethyl)-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8433491
• LogD (pH = 7.4): 0.8433514
• Log P: 0.8433515
• Molar Refractivity: 71.435 cm^3
• Polarizability: 28.311087 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.53
• LOG S: -1.52
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 3