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

• ChemBase ID: 785079
• Molecular Formular: C13H21N3O3
• Molecular Mass: 267.32414
• Monoisotopic Mass: 267.15829155
• SMILES: c1(noc(c1)CN1CCOCC1)C(=O)N(CCC)C
• Canonical SMILES: CCCN(C(=O)c1noc(c1)CN1CCOCC1)C
• InChI: InChI=1S/C13H21N3O3/c1-3-4-15(2)13(17)12-9-11(19-14-12)10-16-5-7-18-8-6-16/h9H,3-8,10H2,1-2H3
• InChIKey: IWJYIFMXPUBDCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.37321696
• LogD (pH = 7.4): 0.5412378
• Log P: 0.54386175
• Molar Refractivity: 72.7671 cm^3
• Polarizability: 27.26635 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.68
• LOG S: -1.02
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5