(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine

• ChemBase ID: 727169
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: n1c(noc1C1CCCC1)CN1[C@H](COCC1)CC
• Canonical SMILES: CC[C@H]1COCCN1Cc1noc(n1)C1CCCC1
• InChI: InChI=1S/C14H23N3O2/c1-2-12-10-18-8-7-17(12)9-13-15-14(19-16-13)11-5-3-4-6-11/h11-12H,2-10H2,1H3/t12-/m0/s1
• InChIKey: YRONHULMUWEYLG-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine
• IUPAC Traditional name: (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine
• Synonyms: (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5169322
• LogD (pH = 7.4): 2.5700693
• Log P: 2.5707908
• Molar Refractivity: 73.7867 cm^3
• Polarizability: 28.232983 Å^3
• Polar Surface Area: 51.39 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: 2.22
• LOG S: -2.02
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4