5-[2,2-bis(prop-2-en-1-yl)pyrrolidine-1-carbonyl]-2-ethyl-4-methyl-1,3-oxazole

• ChemBase ID: 824319
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: c1(C(=O)N2C(CC=C)(CC=C)CCC2)c(nc(o1)CC)C
• Canonical SMILES: C=CCC1(CC=C)CCCN1C(=O)c1oc(nc1C)CC
• InChI: InChI=1S/C17H24N2O2/c1-5-9-17(10-6-2)11-8-12-19(17)16(20)15-13(4)18-14(7-3)21-15/h5-6H,1-2,7-12H2,3-4H3
• InChIKey: NKAUYURVPMIVCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2,2-bis(prop-2-en-1-yl)pyrrolidine-1-carbonyl]-2-ethyl-4-methyl-1,3-oxazole
• IUPAC Traditional name: 5-[2,2-bis(prop-2-en-1-yl)pyrrolidine-1-carbonyl]-2-ethyl-4-methyl-1,3-oxazole
• Synonyms: 5-[(2,2-diallyl-1-pyrrolidinyl)carbonyl]-2-ethyl-4-methyl-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.517256
• LogD (pH = 7.4): 2.5172567
• Log P: 2.5172567
• Molar Refractivity: 84.112 cm^3
• Polarizability: 31.723446 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.57
• LOG S: -3.27
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5