N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 664615
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: c1(nc(oc1)CN1Cc2c(CC1)cccc2)C(=O)N(Cc1nnc(o1)C)C
• Canonical SMILES: Cc1nnc(o1)CN(C(=O)c1coc(n1)CN1CCc2c(C1)cccc2)C
• InChI: InChI=1S/C19H21N5O3/c1-13-21-22-18(27-13)10-23(2)19(25)16-12-26-17(20-16)11-24-8-7-14-5-3-4-6-15(14)9-24/h3-6,12H,7-11H2,1-2H3
• InChIKey: UBJZXXKXRBTTBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.35058102
• LogD (pH = 7.4): 0.26250052
• Log P: 0.28004882
• Molar Refractivity: 100.365 cm^3
• Polarizability: 37.02827 Å^3
• Polar Surface Area: 88.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.15
• LOG S: -3.06
• Polar Surface Area: 88.5 Å^2
• Rotatable Bonds: 5