5-(morpholin-4-ylmethyl)-N,N-dipropyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 855080
• Molecular Formular: C15H25N3O3
• Molecular Mass: 295.3773
• Monoisotopic Mass: 295.18959168
• SMILES: c1(noc(c1)CN1CCOCC1)C(=O)N(CCC)CCC
• Canonical SMILES: CCCN(C(=O)c1noc(c1)CN1CCOCC1)CCC
• InChI: InChI=1S/C15H25N3O3/c1-3-5-18(6-4-2)15(19)14-11-13(21-16-14)12-17-7-9-20-10-8-17/h11H,3-10,12H2,1-2H3
• InChIKey: ACKWSOPBZBUQOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-ylmethyl)-N,N-dipropyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-(morpholin-4-ylmethyl)-N,N-dipropyl-1,2-oxazole-3-carboxamide
• Synonyms: 5-(morpholin-4-ylmethyl)-N,N-dipropylisoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2525755
• LogD (pH = 7.4): 1.4205687
• Log P: 1.4231921
• Molar Refractivity: 82.0397 cm^3
• Polarizability: 30.930805 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.62
• LOG S: -2.13
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7