N-(butan-2-yl)-N-ethyl-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 695139
• Molecular Formular: C15H25N3O3
• Molecular Mass: 295.3773
• Monoisotopic Mass: 295.18959168
• SMILES: c1(C(=O)N(C(CC)C)CC)noc(c1)CN1CCOCC1
• Canonical SMILES: CCC(N(C(=O)c1noc(c1)CN1CCOCC1)CC)C
• InChI: InChI=1S/C15H25N3O3/c1-4-12(3)18(5-2)15(19)14-10-13(21-16-14)11-17-6-8-20-9-7-17/h10,12H,4-9,11H2,1-3H3
• InChIKey: OEQMCLSAWQZILL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-N-ethyl-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-ethyl-5-(morpholin-4-ylmethyl)-N-(sec-butyl)-1,2-oxazole-3-carboxamide
• Synonyms: N-(sec-butyl)-N-ethyl-5-(morpholin-4-ylmethyl)isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1466535
• LogD (pH = 7.4): 1.3146218
• Log P: 1.3172448
• Molar Refractivity: 81.9345 cm^3
• Polarizability: 30.930801 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.8
• LOG S: -1.98
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6