N-methyl-N-(oxan-2-ylmethyl)-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 562797
• Molecular Formular: C22H28N2O4
• Molecular Mass: 384.46872
• Monoisotopic Mass: 384.20490739
• SMILES: c1(noc(c1)COc1cc2c(cc1)CCCC2)C(=O)N(CC1OCCCC1)C
• Canonical SMILES: O=C(c1noc(c1)COc1ccc2c(c1)CCCC2)N(CC1CCCCO1)C
• InChI: InChI=1S/C22H28N2O4/c1-24(14-19-8-4-5-11-26-19)22(25)21-13-20(28-23-21)15-27-18-10-9-16-6-2-3-7-17(16)12-18/h9-10,12-13,19H,2-8,11,14-15H2,1H3
• InChIKey: FUWDLJAEUHDNQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxan-2-ylmethyl)-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-methyl-N-(oxan-2-ylmethyl)-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: N-methyl-5-[(5,6,7,8-tetrahydro-2-naphthalenyloxy)methyl]-N-(tetrahydro-2H-pyran-2-ylmethyl)-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8238487
• LogD (pH = 7.4): 3.8238487
• Log P: 3.8238487
• Molar Refractivity: 107.291 cm^3
• Polarizability: 40.618153 Å^3
• Polar Surface Area: 64.8 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: 3.67
• LOG S: -4.89
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 6