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

• ChemBase ID: 435131
• Molecular Formular: C15H18N2O4
• Molecular Mass: 290.31442
• Monoisotopic Mass: 290.12665707
• SMILES: n1c(oc2c1ccc(C(=O)N1OCCCC1)c2)CCOC
• Canonical SMILES: COCCc1nc2c(o1)cc(cc2)C(=O)N1CCCCO1
• InChI: InChI=1S/C15H18N2O4/c1-19-9-6-14-16-12-5-4-11(10-13(12)21-14)15(18)17-7-2-3-8-20-17/h4-5,10H,2-3,6-9H2,1H3
• InChIKey: XXBWDKXRPKNJSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-6-(1,2-oxazinane-2-carbonyl)-1,3-benzoxazole
• IUPAC Traditional name: 2-(2-methoxyethyl)-6-(1,2-oxazinane-2-carbonyl)-1,3-benzoxazole
• Synonyms: 2-(2-methoxyethyl)-6-(1,2-oxazinan-2-ylcarbonyl)-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3607118
• LogD (pH = 7.4): 1.3607141
• Log P: 1.3607142
• Molar Refractivity: 76.0796 cm^3
• Polarizability: 30.145906 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: 1.09
• LOG S: -1.79
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 3