5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 717451
• Molecular Formular: C11H17N3O3
• Molecular Mass: 239.27098
• Monoisotopic Mass: 239.12699142
• SMILES: c1(oc(nn1)C1CC1)N(CC1OCCOC1)C
• Canonical SMILES: CN(c1nnc(o1)C1CC1)CC1COCCO1
• InChI: InChI=1S/C11H17N3O3/c1-14(6-9-7-15-4-5-16-9)11-13-12-10(17-11)8-2-3-8/h8-9H,2-7H2,1H3
• InChIKey: LICVSJKKKFMPNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
• Synonyms: 5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.44413117
• LogD (pH = 7.4): 0.44413146
• Log P: 0.44413146
• Molar Refractivity: 62.5136 cm^3
• Polarizability: 23.106417 Å^3
• Polar Surface Area: 60.62 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: -0.76
• LOG S: -1.23
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 4