(2S)-1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

• ChemBase ID: 221706
• Molecular Formular: C11H15N3O3
• Molecular Mass: 237.2551
• Monoisotopic Mass: 237.11134136
• SMILES: N1([C@H](C(=O)Nc2noc(c2)C)CCC1)C(=O)C
• Canonical SMILES: O=C([C@@H]1CCCN1C(=O)C)Nc1noc(c1)C
• InChI: InChI=1S/C11H15N3O3/c1-7-6-10(13-17-7)12-11(16)9-4-3-5-14(9)8(2)15/h6,9H,3-5H2,1-2H3,(H,12,13,16)/t9-/m0/s1
• InChIKey: GSBLWBXKCBKSMH-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S)-1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

Database IDs

• PubChem SID: 164277616
• PubChem CID: 24315187

CALCULATED PROPERTIES

• Acid pKa: 11.009039
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.105665326
• LogD (pH = 7.4): 0.1055655
• Log P: 0.10566702
• Molar Refractivity: 62.8127 cm^3
• Polarizability: 22.752535 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds