N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 409844
• Molecular Formular: C21H23N5O2
• Molecular Mass: 377.43962
• Monoisotopic Mass: 377.185175
• SMILES: n1c(noc1CN(C(=O)C(N1CCCC1)c1cnccc1)C)c1ccccc1
• Canonical SMILES: CN(C(=O)C(c1cccnc1)N1CCCC1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C21H23N5O2/c1-25(15-18-23-20(24-28-18)16-8-3-2-4-9-16)21(27)19(26-12-5-6-13-26)17-10-7-11-22-14-17/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3
• InChIKey: LGDMHVPGOTVHQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-pyridinyl)-2-(1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0558586
• LogD (pH = 7.4): 2.3676786
• Log P: 2.4926422
• Molar Refractivity: 117.3971 cm^3
• Polarizability: 41.141697 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.61
• LOG S: -2.88
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 6