[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate

• ChemBase ID: 86374
• Molecular Formular: C19H20N2O3S
• Molecular Mass: 356.4387
• Monoisotopic Mass: 356.11946351
• SMILES: n1c(c2ccccc2)c(c(o1)C)c1csc(n1)COC(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)OCc1scc(n1)c1c(C)onc1c1ccccc1
• InChI: InChI=1S/C19H20N2O3S/c1-12-16(17(21-24-12)13-8-6-5-7-9-13)14-11-25-15(20-14)10-23-18(22)19(2,3)4/h5-9,11H,10H2,1-4H3
• InChIKey: RSIGJLFRZWJOHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
• IUPAC Traditional name: [4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
• Synonyms: [4-(5-methyl-3-phenylisoxazol-4-yl)-1,3-thiazol-2-yl]methyl pivalate

Database IDs

• MDL Number: MFCD01765196
• PubChem SID: 162073490
• PubChem CID: 2798639

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8087664
• LogD (pH = 7.4): 4.808775
• Log P: 4.8087754
• Molar Refractivity: 96.3833 cm^3
• Polarizability: 39.58375 Å^3
• Polar Surface Area: 65.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true