N-methyl-5-propyl-N-[3-(pyrrolidin-1-yl)propyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 771629
• Molecular Formular: C13H24N4O
• Molecular Mass: 252.35586
• Monoisotopic Mass: 252.19501141
• SMILES: c1(oc(nn1)CCC)N(CCCN1CCCC1)C
• Canonical SMILES: CCCc1nnc(o1)N(CCCN1CCCC1)C
• InChI: InChI=1S/C13H24N4O/c1-3-7-12-14-15-13(18-12)16(2)8-6-11-17-9-4-5-10-17/h3-11H2,1-2H3
• InChIKey: BJBCFNZJNYTPBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-propyl-N-[3-(pyrrolidin-1-yl)propyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-methyl-5-propyl-N-[3-(pyrrolidin-1-yl)propyl]-1,3,4-oxadiazol-2-amine
• Synonyms: N-methyl-5-propyl-N-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7047026
• LogD (pH = 7.4): -0.1144149
• Log P: 1.4995503
• Molar Refractivity: 74.9796 cm^3
• Polarizability: 27.556238 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.69
• LOG S: -1.48
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 7