1-(5-methyl-1,3-oxazole-4-carbonyl)-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 661268
• Molecular Formular: C17H19N5O2S
• Molecular Mass: 357.43006
• Monoisotopic Mass: 357.12594587
• SMILES: c1(C(=O)N2CCC(c3n(Cc4ncsc4)ccn3)CC2)ncoc1C
• Canonical SMILES: Cc1ocnc1C(=O)N1CCC(CC1)c1nccn1Cc1ncsc1
• InChI: InChI=1S/C17H19N5O2S/c1-12-15(19-10-24-12)17(23)21-5-2-13(3-6-21)16-18-4-7-22(16)8-14-9-25-11-20-14/h4,7,9-11,13H,2-3,5-6,8H2,1H3
• InChIKey: LNCDDBZTXKMDHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methyl-1,3-oxazole-4-carbonyl)-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-(5-methyl-1,3-oxazole-4-carbonyl)-4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine
• Synonyms: 1-[(5-methyl-1,3-oxazol-4-yl)carbonyl]-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.106192805
• LogD (pH = 7.4): 0.73385894
• Log P: 0.761252
• Molar Refractivity: 93.8041 cm^3
• Polarizability: 35.02089 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.06
• LOG S: -2.21
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 4