N-[1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]acetamide

• ChemBase ID: 827962
• Molecular Formular: C13H19N3O3
• Molecular Mass: 265.30826
• Monoisotopic Mass: 265.14264148
• SMILES: c1(C(=O)N2CC(NC(=O)C)CC2)noc(c1)CCC
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCC(C1)NC(=O)C
• InChI: InChI=1S/C13H19N3O3/c1-3-4-11-7-12(15-19-11)13(18)16-6-5-10(8-16)14-9(2)17/h7,10H,3-6,8H2,1-2H3,(H,14,17)
• InChIKey: BKAGRPPJNVUBJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]acetamide
• Synonyms: N-{1-[(5-propyl-3-isoxazolyl)carbonyl]-3-pyrrolidinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.744702
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.15835094
• LogD (pH = 7.4): 0.15835099
• Log P: 0.158351
• Molar Refractivity: 70.2347 cm^3
• Polarizability: 26.214787 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.34
• LOG S: -1.3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 4