4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]morpholine

• ChemBase ID: 547211
• Molecular Formular: C12H19N7O3
• Molecular Mass: 309.32436
• Monoisotopic Mass: 309.1549375
• SMILES: c1(n(nnn1)CCOC)C1CN(c2oc(nn2)CC)CCO1
• Canonical SMILES: COCCn1nnnc1C1OCCN(C1)c1nnc(o1)CC
• InChI: InChI=1S/C12H19N7O3/c1-3-10-13-15-12(22-10)18-4-7-21-9(8-18)11-14-16-17-19(11)5-6-20-2/h9H,3-8H2,1-2H3
• InChIKey: MAUPPUGLNACQDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -0.30583465
• LogD (pH = 7.4): -0.30583423
• Log P: -0.30583423
• Molar Refractivity: 91.2326 cm^3
• Polarizability: 28.529558 Å^3
• Polar Surface Area: 104.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: -1.55
• LOG S: -1.67
• Polar Surface Area: 104.22 Å^2
• Rotatable Bonds: 6