4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]thiomorpholine

• ChemBase ID: 850598
• Molecular Formular: C10H15N3OS
• Molecular Mass: 225.3106
• Monoisotopic Mass: 225.09358312
• SMILES: n1c(noc1CN1CCSCC1)C1CC1
• Canonical SMILES: S1CCN(CC1)Cc1onc(n1)C1CC1
• InChI: InChI=1S/C10H15N3OS/c1-2-8(1)10-11-9(14-12-10)7-13-3-5-15-6-4-13/h8H,1-7H2
• InChIKey: SRTDAWMRANLOHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8027807
• LogD (pH = 7.4): 1.4133472
• Log P: 1.4307536
• Molar Refractivity: 61.9275 cm^3
• Polarizability: 23.241152 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.69
• LOG S: -0.98
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 3