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

• ChemBase ID: 284349
• Molecular Formular: C13H21N3O2
• Molecular Mass: 251.32474
• Monoisotopic Mass: 251.16337693
• SMILES: n1c(oc(c1)C(C)C)CN(C(=O)C)C1CCNC1
• Canonical SMILES: CC(=O)N(C1CNCC1)Cc1ncc(o1)C(C)C
• InChI: InChI=1S/C13H21N3O2/c1-9(2)12-7-15-13(18-12)8-16(10(3)17)11-4-5-14-6-11/h7,9,11,14H,4-6,8H2,1-3H3
• InChIKey: BBPCZOMOPFDMKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392268
• PubChem SID: 180669880
• PubChem CID: 71873201

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4051096
• LogD (pH = 7.4): -2.9754493
• Log P: -0.17255025
• Molar Refractivity: 68.3446 cm^3
• Polarizability: 26.665594 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.01

Product Information

• Purity: 95%