N-{4-[(2-methoxyethyl)carbamoyl]phenyl}-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 475198
• Molecular Formular: C19H25N5O4
• Molecular Mass: 387.4329
• Monoisotopic Mass: 387.19065431
• SMILES: n1c(noc1C)C1CN(C(=O)Nc2ccc(C(=O)NCCOC)cc2)CCC1
• Canonical SMILES: COCCNC(=O)c1ccc(cc1)NC(=O)N1CCCC(C1)c1noc(n1)C
• InChI: InChI=1S/C19H25N5O4/c1-13-21-17(23-28-13)15-4-3-10-24(12-15)19(26)22-16-7-5-14(6-8-16)18(25)20-9-11-27-2/h5-8,15H,3-4,9-12H2,1-2H3,(H,20,25)(H,22,26)
• InChIKey: AGMHSVLXYHCKBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(2-methoxyethyl)carbamoyl]phenyl}-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-{4-[(2-methoxyethyl)carbamoyl]phenyl}-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• Synonyms: N-(4-{[(2-methoxyethyl)amino]carbonyl}phenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.830764
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3026125
• LogD (pH = 7.4): 1.3026112
• Log P: 1.3026128
• Molar Refractivity: 105.7331 cm^3
• Polarizability: 38.588726 Å^3
• Polar Surface Area: 109.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.08
• LOG S: -3.4
• Polar Surface Area: 109.59 Å^2
• Rotatable Bonds: 6