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

• ChemBase ID: 574495
• Molecular Formular: C15H21N5O4
• Molecular Mass: 335.35834
• Monoisotopic Mass: 335.15935418
• SMILES: c1(noc(c1)CN1CCOCC1)C(=O)NC(c1nc(no1)C)CC
• Canonical SMILES: CCC(c1onc(n1)C)NC(=O)c1noc(c1)CN1CCOCC1
• InChI: InChI=1S/C15H21N5O4/c1-3-12(15-16-10(2)18-24-15)17-14(21)13-8-11(23-19-13)9-20-4-6-22-7-5-20/h8,12H,3-7,9H2,1-2H3,(H,17,21)
• InChIKey: OPEOZMJEJCGEER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• Synonyms: N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-(morpholin-4-ylmethyl)isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.936584
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.42331734
• LogD (pH = 7.4): 0.5915255
• Log P: 0.59416467
• Molar Refractivity: 86.7958 cm^3
• Polarizability: 32.000385 Å^3
• Polar Surface Area: 106.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: -1.75
• LOG S: -1.46
• Polar Surface Area: 106.52 Å^2
• Rotatable Bonds: 6