methyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl][(1-phenyl-1H-pyrazol-5-yl)methyl]amine

• ChemBase ID: 696287
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: n1(c(ccn1)CN(Cc1nc(on1)C)C)c1ccccc1
• Canonical SMILES: CN(Cc1ccnn1c1ccccc1)Cc1noc(n1)C
• InChI: InChI=1S/C15H17N5O/c1-12-17-15(18-21-12)11-19(2)10-14-8-9-16-20(14)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
• InChIKey: IYBMXJCUNDPDED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl][(1-phenyl-1H-pyrazol-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl][(2-phenylpyrazol-3-yl)methyl]amine
• Synonyms: N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-phenyl-1H-pyrazol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9106842
• LogD (pH = 7.4): 1.9985312
• Log P: 1.9997743
• Molar Refractivity: 82.02 cm^3
• Polarizability: 30.914219 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.74
• LOG S: -1.75
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 5