N-{2-[4-(dimethylamino)phenyl]ethyl}-5-methyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 321458
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: c1(ncoc1C)C(=O)NCCc1ccc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cc1)CCNC(=O)c1ncoc1C)C
• InChI: InChI=1S/C15H19N3O2/c1-11-14(17-10-20-11)15(19)16-9-8-12-4-6-13(7-5-12)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,19)
• InChIKey: LFKPXPZJMRZSOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(dimethylamino)phenyl]ethyl}-5-methyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-{2-[4-(dimethylamino)phenyl]ethyl}-5-methyl-1,3-oxazole-4-carboxamide
• Synonyms: N-{2-[4-(dimethylamino)phenyl]ethyl}-5-methyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.252336
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5948976
• LogD (pH = 7.4): 1.6946115
• Log P: 1.6960434
• Molar Refractivity: 79.3164 cm^3
• Polarizability: 29.021847 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.35
• LOG S: -2.35
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5