2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(pyrimidin-4-yl)morpholine

• ChemBase ID: 794359
• Molecular Formular: C13H17N5O2
• Molecular Mass: 275.30638
• Monoisotopic Mass: 275.13822481
• SMILES: n1c(noc1CC)CC1CN(c2ncncc2)CCO1
• Canonical SMILES: CCc1onc(n1)CC1OCCN(C1)c1ccncn1
• InChI: InChI=1S/C13H17N5O2/c1-2-13-16-11(17-20-13)7-10-8-18(5-6-19-10)12-3-4-14-9-15-12/h3-4,9-10H,2,5-8H2,1H3
• InChIKey: NBVAVULLUXAEPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(pyrimidin-4-yl)morpholine
• IUPAC Traditional name: 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(pyrimidin-4-yl)morpholine
• Synonyms: 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-pyrimidin-4-ylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.443059
• LogD (pH = 7.4): 1.6179763
• Log P: 1.6207844
• Molar Refractivity: 74.7155 cm^3
• Polarizability: 27.149755 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.22
• LOG S: -1.74
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 4