N-[3-(3-ethylphenoxy)propyl]-N-methyl-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 407659
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: c1(noc(c1)C(C)C)C(=O)N(CCCOc1cc(ccc1)CC)C
• Canonical SMILES: CCc1cccc(c1)OCCCN(C(=O)c1noc(c1)C(C)C)C
• InChI: InChI=1S/C19H26N2O3/c1-5-15-8-6-9-16(12-15)23-11-7-10-21(4)19(22)17-13-18(14(2)3)24-20-17/h6,8-9,12-14H,5,7,10-11H2,1-4H3
• InChIKey: OIMURQBUQCJRKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3-ethylphenoxy)propyl]-N-methyl-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[3-(3-ethylphenoxy)propyl]-5-isopropyl-N-methyl-1,2-oxazole-3-carboxamide
• Synonyms: N-[3-(3-ethylphenoxy)propyl]-5-isopropyl-N-methylisoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.77069
• LogD (pH = 7.4): 3.77069
• Log P: 3.77069
• Molar Refractivity: 95.2049 cm^3
• Polarizability: 35.846485 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.91
• LOG S: -4.95
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 8