N-(2,2-dimethyloxan-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

• ChemBase ID: 227341
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: n1cc(oc1CCC(=O)NC1CC(OCC1)(C)C)c1ccccc1
• Canonical SMILES: O=C(NC1CCOC(C1)(C)C)CCc1ncc(o1)c1ccccc1
• InChI: InChI=1S/C19H24N2O3/c1-19(2)12-15(10-11-23-19)21-17(22)8-9-18-20-13-16(24-18)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,21,22)
• InChIKey: FNKJNIKJLDXGDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

Database IDs

• PubChem SID: 164283251
• PubChem CID: 71754469

CALCULATED PROPERTIES

• Acid pKa: 15.3918705
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5053585
• LogD (pH = 7.4): 1.5053624
• Log P: 1.5053624
• Molar Refractivity: 91.3665 cm^3
• Polarizability: 36.847416 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds