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

• ChemBase ID: 284347
• Molecular Formular: C11H17N3O2
• Molecular Mass: 223.27158
• Monoisotopic Mass: 223.1320768
• SMILES: n1c(oc(c1)C)CN(C(=O)C)C1CCNC1
• Canonical SMILES: CC(=O)N(C1CNCC1)Cc1ncc(o1)C
• InChI: InChI=1S/C11H17N3O2/c1-8-5-13-11(16-8)7-14(9(2)15)10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3
• InChIKey: UBLVKEFUHHMXFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392266
• PubChem SID: 180669878
• PubChem CID: 71873202

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2926064
• LogD (pH = 7.4): -3.8629446
• Log P: -1.0600455
• Molar Refractivity: 59.349 cm^3
• Polarizability: 22.998346 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.938

Product Information

• Purity: 95%