N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-carboxamide

• ChemBase ID: 227661
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: c1(C(=O)NCC2(c3ccc(cc3)OC)CCOCC2)c(onc1C)C
• Canonical SMILES: COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1c(C)noc1C
• InChI: InChI=1S/C19H24N2O4/c1-13-17(14(2)25-21-13)18(22)20-12-19(8-10-24-11-9-19)15-4-6-16(23-3)7-5-15/h4-7H,8-12H2,1-3H3,(H,20,22)
• InChIKey: CGJNEERZZAWUBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-carboxamide
• IUPAC Traditional name: N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-carboxamide

Database IDs

• PubChem SID: 164283571
• PubChem CID: 52414792

CALCULATED PROPERTIES

• Acid pKa: 13.332188
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.51895
• LogD (pH = 7.4): 1.5189589
• Log P: 1.5189595
• Molar Refractivity: 95.4661 cm^3
• Polarizability: 35.828716 Å^3
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds