N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 693460
• Molecular Formular: C14H19N3O2
• Molecular Mass: 261.31956
• Monoisotopic Mass: 261.14772686
• SMILES: c1(oc(nn1)CCC)N[C@@H](c1ccc(cc1)OC)C
• Canonical SMILES: CCCc1nnc(o1)N[C@@H](c1ccc(cc1)OC)C
• InChI: InChI=1S/C14H19N3O2/c1-4-5-13-16-17-14(19-13)15-10(2)11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,15,17)/t10-/m1/s1
• InChIKey: HNLUSUOXNVTQIA-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
• Synonyms: N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.263137
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3632522
• LogD (pH = 7.4): 2.3626947
• Log P: 2.3632598
• Molar Refractivity: 75.8139 cm^3
• Polarizability: 27.81973 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.69
• LOG S: -3.4
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 6