4-phenyl-N-(1,3-thiazol-2-yl)oxane-4-carboxamide

• ChemBase ID: 225116
• Molecular Formular: C15H16N2O2S
• Molecular Mass: 288.36474
• Monoisotopic Mass: 288.09324876
• SMILES: C(=O)(Nc1nccs1)C1(c2ccccc2)CCOCC1
• Canonical SMILES: O=C(C1(CCOCC1)c1ccccc1)Nc1nccs1
• InChI: InChI=1S/C15H16N2O2S/c18-13(17-14-16-8-11-20-14)15(6-9-19-10-7-15)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10H2,(H,16,17,18)
• InChIKey: IZNBUCGVELPOFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-N-(1,3-thiazol-2-yl)oxane-4-carboxamide
• IUPAC Traditional name: 4-phenyl-N-(1,3-thiazol-2-yl)oxane-4-carboxamide

Database IDs

• PubChem SID: 164281026
• PubChem CID: 35180090

CALCULATED PROPERTIES

• Acid pKa: 10.655905
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6648192
• LogD (pH = 7.4): 2.6645942
• Log P: 2.664823
• Molar Refractivity: 78.9494 cm^3
• Polarizability: 29.93009 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds