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

• ChemBase ID: 397328
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: c1(C(=O)N(C(C2CC2)C2CC2)C)noc(c1)CN1CCOCC1
• Canonical SMILES: CN(C(=O)c1noc(c1)CN1CCOCC1)C(C1CC1)C1CC1
• InChI: InChI=1S/C17H25N3O3/c1-19(16(12-2-3-12)13-4-5-13)17(21)15-10-14(23-18-15)11-20-6-8-22-9-7-20/h10,12-13,16H,2-9,11H2,1H3
• InChIKey: OEVRVSVZMQDETB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1148394
• LogD (pH = 7.4): 1.2828296
• Log P: 1.2854531
• Molar Refractivity: 87.0487 cm^3
• Polarizability: 33.16261 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: -1.13
• LOG S: -1.87
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6