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

• ChemBase ID: 407911
• Molecular Formular: C15H14N4O3
• Molecular Mass: 298.29666
• Monoisotopic Mass: 298.10659033
• SMILES: c1(C(=O)N(Cc2nc(on2)c2ccccc2)C)c(nco1)C
• Canonical SMILES: CN(C(=O)c1ocnc1C)Cc1noc(n1)c1ccccc1
• InChI: InChI=1S/C15H14N4O3/c1-10-13(21-9-16-10)15(20)19(2)8-12-17-14(22-18-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
• InChIKey: VWMPVIUOWKFOHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3366822
• LogD (pH = 7.4): 1.3366823
• Log P: 1.3366823
• Molar Refractivity: 89.9492 cm^3
• Polarizability: 29.629951 Å^3
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.59
• LOG S: -2.27
• Polar Surface Area: 85.26 Å^2
• Rotatable Bonds: 4