N-cyclopentyl-2-{methyl[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino}propanamide

• ChemBase ID: 459443
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: n1c(noc1c1ccccc1)CN(C(C(=O)NC1CCCC1)C)C
• Canonical SMILES: CN(C(C(=O)NC1CCCC1)C)Cc1noc(n1)c1ccccc1
• InChI: InChI=1S/C18H24N4O2/c1-13(17(23)19-15-10-6-7-11-15)22(2)12-16-20-18(24-21-16)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,19,23)
• InChIKey: AKOQOHQEWBIUEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{methyl[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{methyl[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-{methyl[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.065751
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8343525
• LogD (pH = 7.4): 3.013125
• Log P: 3.0159545
• Molar Refractivity: 103.5397 cm^3
• Polarizability: 36.135353 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.41
• LOG S: -3.65
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6