2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine

• ChemBase ID: 747038
• Molecular Formular: C18H22N6O3
• Molecular Mass: 370.40568
• Monoisotopic Mass: 370.17533859
• SMILES: c1(n(nnn1)CCOC)C1CN(Cc2nc(oc2)c2ccccc2)CCO1
• Canonical SMILES: COCCn1nnnc1C1OCCN(C1)Cc1coc(n1)c1ccccc1
• InChI: InChI=1S/C18H22N6O3/c1-25-9-8-24-17(20-21-22-24)16-12-23(7-10-26-16)11-15-13-27-18(19-15)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3
• InChIKey: MGVOXHHILQKDCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine
• IUPAC Traditional name: 2-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine
• Synonyms: 2-[1-(2-methoxyethyl)-1H-tetrazol-5-yl]-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.8415803
• LogD (pH = 7.4): 1.0822414
• Log P: 1.0863619
• Molar Refractivity: 121.169 cm^3
• Polarizability: 38.10712 Å^3
• Polar Surface Area: 91.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 0.51
• LOG S: -1.33
• Polar Surface Area: 91.33 Å^2
• Rotatable Bonds: 7