N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(1s,4s)-4-aminocyclohexyl]-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 585749
• Molecular Formular: C17H25N7O2
• Molecular Mass: 359.4261
• Monoisotopic Mass: 359.20697308
• SMILES: c1(nnn(c1)[C@H]1CC[C@@H](N)CC1)C(=O)N(Cc1nc(on1)C1CCC1)C
• Canonical SMILES: N[C@@H]1CC[C@@H](CC1)n1nnc(c1)C(=O)N(Cc1noc(n1)C1CCC1)C
• InChI: InChI=1S/C17H25N7O2/c1-23(10-15-19-16(26-21-15)11-3-2-4-11)17(25)14-9-24(22-20-14)13-7-5-12(18)6-8-13/h9,11-13H,2-8,10,18H2,1H3/t12-,13+
• InChIKey: IHWQVNVJHPXHLB-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(1s,4s)-4-aminocyclohexyl]-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(1s,4s)-4-aminocyclohexyl]-1,2,3-triazole-4-carboxamide
• Synonyms: 1-(cis-4-aminocyclohexyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.1501892
• LogD (pH = 7.4): -1.768819
• Log P: 1.0547311
• Molar Refractivity: 107.3397 cm^3
• Polarizability: 35.904457 Å^3
• Polar Surface Area: 115.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -1.14
• LOG S: -2.16
• Polar Surface Area: 115.96 Å^2
• Rotatable Bonds: 5