5-(2-butyl-2,5-dihydro-1H-pyrrole-1-carbonyl)-2-ethyl-4-methyl-1,3-oxazole

• ChemBase ID: 518980
• Molecular Formular: C15H22N2O2
• Molecular Mass: 262.34738
• Monoisotopic Mass: 262.16812795
• SMILES: c1(C(=O)N2C(C=CC2)CCCC)c(nc(o1)CC)C
• Canonical SMILES: CCCCC1C=CCN1C(=O)c1oc(nc1C)CC
• InChI: InChI=1S/C15H22N2O2/c1-4-6-8-12-9-7-10-17(12)15(18)14-11(3)16-13(5-2)19-14/h7,9,12H,4-6,8,10H2,1-3H3
• InChIKey: XEIZPIVTAAKDEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-butyl-2,5-dihydro-1H-pyrrole-1-carbonyl)-2-ethyl-4-methyl-1,3-oxazole
• IUPAC Traditional name: 5-(2-butyl-2,5-dihydropyrrole-1-carbonyl)-2-ethyl-4-methyl-1,3-oxazole
• Synonyms: 5-[(2-butyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-2-ethyl-4-methyl-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2720263
• LogD (pH = 7.4): 2.272027
• Log P: 2.272027
• Molar Refractivity: 75.6702 cm^3
• Polarizability: 28.288984 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.35
• LOG S: -2.27
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5