{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(pyrazin-2-ylmethyl)amine

• ChemBase ID: 683156
• Molecular Formular: C15H14ClN5O
• Molecular Mass: 315.75756
• Monoisotopic Mass: 315.08868777
• SMILES: n1c(noc1CN(Cc1nccnc1)C)c1cc(Cl)ccc1
• Canonical SMILES: CN(Cc1onc(n1)c1cccc(c1)Cl)Cc1cnccn1
• InChI: InChI=1S/C15H14ClN5O/c1-21(9-13-8-17-5-6-18-13)10-14-19-15(20-22-14)11-3-2-4-12(16)7-11/h2-8H,9-10H2,1H3
• InChIKey: BSGBXRUOGDMMHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(pyrazin-2-ylmethyl)amine
• IUPAC Traditional name: {[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(pyrazin-2-ylmethyl)amine
• Synonyms: 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-pyrazinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0710764
• LogD (pH = 7.4): 2.2265577
• Log P: 2.228948
• Molar Refractivity: 94.5363 cm^3
• Polarizability: 32.441654 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.46
• LOG S: -1.62
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5