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

• ChemBase ID: 693894
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: c1(C(=O)N(C2c3c(CCC2)cccc3)C)noc(c1)CN1CCOCC1
• Canonical SMILES: CN(C1CCCc2c1cccc2)C(=O)c1noc(c1)CN1CCOCC1
• InChI: InChI=1S/C20H25N3O3/c1-22(19-8-4-6-15-5-2-3-7-17(15)19)20(24)18-13-16(26-21-18)14-23-9-11-25-12-10-23/h2-3,5,7,13,19H,4,6,8-12,14H2,1H3
• InChIKey: LMMIXASMSTYAQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 2.3751748
• Log P: 2.3777974
• Molar Refractivity: 100.2889 cm^3
• Polarizability: 37.851704 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2072167

供应商提供(Chembridge)

• Log P: 0.05
• LOG S: -3.14
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 0