N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

• ChemBase ID: 628398
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1c(onc1C)c1ccc(NC(=O)N2CC(N3C(C)CCCC3)C2)cc1
• Canonical SMILES: O=C(N1CC(C1)N1CCCCC1C)Nc1ccc(cc1)c1onc(n1)C
• InChI: InChI=1S/C19H25N5O2/c1-13-5-3-4-10-24(13)17-11-23(12-17)19(25)21-16-8-6-15(7-9-16)18-20-14(2)22-26-18/h6-9,13,17H,3-5,10-12H2,1-2H3,(H,21,25)
• InChIKey: PNKIYDVCRQMTRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
• IUPAC Traditional name: N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
• Synonyms: N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.702012
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.51406246
• LogD (pH = 7.4): 2.287727
• Log P: 2.981633
• Molar Refractivity: 112.0143 cm^3
• Polarizability: 38.297855 Å^3
• Polar Surface Area: 74.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.39
• LOG S: -3.83
• Polar Surface Area: 74.5 Å^2
• Rotatable Bonds: 3