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

• ChemBase ID: 498708
• Molecular Formular: C16H15N3O2S
• Molecular Mass: 313.3742
• Monoisotopic Mass: 313.08849774
• SMILES: c1(C(=O)N(Cc2nc(sc2)c2ccccc2)C)c(nco1)C
• Canonical SMILES: CN(C(=O)c1ocnc1C)Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C16H15N3O2S/c1-11-14(21-10-17-11)16(20)19(2)8-13-9-22-15(18-13)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3
• InChIKey: KOKXHUPIZGZVDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.753901
• LogD (pH = 7.4): 1.7540076
• Log P: 1.754009
• Molar Refractivity: 94.5086 cm^3
• Polarizability: 32.255795 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.59
• LOG S: -2.84
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4