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

• ChemBase ID: 284348
• Molecular Formular: C12H19N3O2
• Molecular Mass: 237.29816
• Monoisotopic Mass: 237.14772686
• SMILES: n1c(oc(c1)CC)CN(C(=O)C)C1CCNC1
• Canonical SMILES: CCc1cnc(o1)CN(C1CNCC1)C(=O)C
• InChI: InChI=1S/C12H19N3O2/c1-3-11-7-14-12(17-11)8-15(9(2)16)10-4-5-13-6-10/h7,10,13H,3-6,8H2,1-2H3
• InChIKey: XLHVTMIWGVEINH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
• Synonyms: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide

Database IDs

• MDL Number: MFCD22392267
• PubChem SID: 180669879
• PubChem CID: 71756633

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7700832
• LogD (pH = 7.4): -3.3404222
• Log P: -0.5375231
• Molar Refractivity: 63.873 cm^3
• Polarizability: 24.831167 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.409

Product Information

• Purity: 95%