N-[(1-benzylpiperidin-4-yl)methyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 852074
• Molecular Formular: C21H27N3O2
• Molecular Mass: 353.45798
• Monoisotopic Mass: 353.21032712
• SMILES: c1(C(=O)N(CC2CCN(Cc3ccccc3)CC2)C)c(C2CC2)ocn1
• Canonical SMILES: CN(C(=O)c1ncoc1C1CC1)CC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C21H27N3O2/c1-23(21(25)19-20(18-7-8-18)26-15-22-19)13-17-9-11-24(12-10-17)14-16-5-3-2-4-6-16/h2-6,15,17-18H,7-14H2,1H3
• InChIKey: JOXPDTKYGWAHSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpiperidin-4-yl)methyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[(1-benzylpiperidin-4-yl)methyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide
• Synonyms: N-[(1-benzyl-4-piperidinyl)methyl]-5-cyclopropyl-N-methyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7605985
• LogD (pH = 7.4): 0.8384255
• Log P: 2.4341905
• Molar Refractivity: 102.492 cm^3
• Polarizability: 38.98858 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.69
• LOG S: -3.22
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6