2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-en-1-yl)acetamide

• ChemBase ID: 573250
• Molecular Formular: C16H23N3O2
• Molecular Mass: 289.37272
• Monoisotopic Mass: 289.17902699
• SMILES: c1(onc(c1)C)C1N(CC(=O)N(CC=C)CC=C)CCC1
• Canonical SMILES: C=CCN(C(=O)CN1CCCC1c1onc(c1)C)CC=C
• InChI: InChI=1S/C16H23N3O2/c1-4-8-18(9-5-2)16(20)12-19-10-6-7-14(19)15-11-13(3)17-21-15/h4-5,11,14H,1-2,6-10,12H2,3H3
• InChIKey: QLQWUQSRVHWFCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-en-1-yl)acetamide
• Synonyms: N,N-diallyl-2-[2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3096793
• LogD (pH = 7.4): 1.1706363
• Log P: 1.3770163
• Molar Refractivity: 83.7485 cm^3
• Polarizability: 31.691727 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.02
• LOG S: -3.04
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 7