2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C19H20N2O5S — CID 46606994

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 46606994) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

• Compound Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
• PubChem CID: 46606994
• Molecular Formula: C19H20N2O5S
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.11
• IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
• SMILES: Cc1noc(C)c1COc1cccc(C(=O)OCCn2c(C)csc2=O)c1
• InChI: InChI=1S/C19H20N2O5S/c1-12-11-27-19(23)21(12)7-8-24-18(22)15-5-4-6-16(9-15)25-10-17-13(2)20-26-14(17)3/h4-6,9,11H,7-8,10H2,1-3H3
• InChIKey: MNMVABPXJCMRIX-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 83.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?

The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 46606994) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?

The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1noc(C)c1COc1cccc(C(=O)OCCn2c(C)csc2=O)c1.

What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?

The InChIKey is MNMVABPXJCMRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-11-27-19(23)21(12)7-8-24-18(22)15-5-4-6-16(9-15)25-10-17-13(2)20-26-14(17)3/h4-6,9,11H,7-8,10H2,1-3H3.

What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 388.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 46606994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).