1-cyclopentyl-4-{[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]methyl}piperazin-2-one

• ChemBase ID: 612317
• Molecular Formular: C18H23N3O2S
• Molecular Mass: 345.45912
• Monoisotopic Mass: 345.15109799
• SMILES: c1(nc(c(o1)C)CN1CC(=O)N(CC1)C1CCCC1)c1cscc1
• Canonical SMILES: O=C1CN(CCN1C1CCCC1)Cc1nc(oc1C)c1cscc1
• InChI: InChI=1S/C18H23N3O2S/c1-13-16(19-18(23-13)14-6-9-24-12-14)10-20-7-8-21(17(22)11-20)15-4-2-3-5-15/h6,9,12,15H,2-5,7-8,10-11H2,1H3
• InChIKey: DAWYEQPITWCNQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-{[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]methyl}piperazin-2-one
• IUPAC Traditional name: 1-cyclopentyl-4-{[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]methyl}piperazin-2-one
• Synonyms: 1-cyclopentyl-4-{[5-methyl-2-(3-thienyl)-1,3-oxazol-4-yl]methyl}-2-piperazinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0669265
• LogD (pH = 7.4): 2.2415986
• Log P: 2.2443492
• Molar Refractivity: 104.2894 cm^3
• Polarizability: 36.71561 Å^3
• Polar Surface Area: 49.58 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: 3.37
• LOG S: -2.59
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4