N,2-dimethyl-4-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carboxamide

• ChemBase ID: 856666
• Molecular Formular: C22H19N5O2
• Molecular Mass: 385.41856
• Monoisotopic Mass: 385.15387487
• SMILES: c1(C(=O)N(Cc2nc(no2)c2ccccc2)C)c(nc(nc1)C)c1ccccc1
• Canonical SMILES: Cc1ncc(c(n1)c1ccccc1)C(=O)N(Cc1onc(n1)c1ccccc1)C
• InChI: InChI=1S/C22H19N5O2/c1-15-23-13-18(20(24-15)16-9-5-3-6-10-16)22(28)27(2)14-19-25-21(26-29-19)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3
• InChIKey: LIMPLWROVCXZJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-4-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carboxamide
• IUPAC Traditional name: N,2-dimethyl-4-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carboxamide
• Synonyms: N,2-dimethyl-4-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.920425
• LogD (pH = 7.4): 3.9205842
• Log P: 3.920586
• Molar Refractivity: 120.9495 cm^3
• Polarizability: 42.758488 Å^3
• Polar Surface Area: 85.01 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: 2.52
• LOG S: -4.16
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 5