N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 761965
• Molecular Formular: C23H28N4O3
• Molecular Mass: 408.49342
• Monoisotopic Mass: 408.21614078
• SMILES: c1(C(=O)N(Cc2n(ccn2)C)C(C)C)noc(c1)COc1cc2c(cc1)CCCC2
• Canonical SMILES: CC(N(C(=O)c1noc(c1)COc1ccc2c(c1)CCCC2)Cc1nccn1C)C
• InChI: InChI=1S/C23H28N4O3/c1-16(2)27(14-22-24-10-11-26(22)3)23(28)21-13-20(30-25-21)15-29-19-9-8-17-6-4-5-7-18(17)12-19/h8-13,16H,4-7,14-15H2,1-3H3
• InChIKey: FLVZCPVOSYJLKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-isopropyl-N-[(1-methylimidazol-2-yl)methyl]-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-5-[(5,6,7,8-tetrahydro-2-naphthalenyloxy)methyl]-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0884914
• LogD (pH = 7.4): 3.61927
• Log P: 3.6369197
• Molar Refractivity: 115.3938 cm^3
• Polarizability: 43.292328 Å^3
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.23
• LOG S: -4.96
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 6