5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide

C16H13Cl2N3O3S — CID 155949179

About 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 155949179) has the molecular formula C16H13Cl2N3O3S and a molecular weight of 398.27 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 155949179
• Molecular Formula: C16H13Cl2N3O3S
• Molecular Weight: 398.27 g/mol
• Exact Mass: 397.01
• IUPAC Name: 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1ncc(CNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)s1
• InChI: InChI=1S/C16H13Cl2N3O3S/c1-9-19-6-11(25-9)7-20-16(22)14-5-10(24-21-14)8-23-15-12(17)3-2-4-13(15)18/h2-6H,7-8H2,1H3,(H,20,22)
• InChIKey: DCYNNFJKHJERBC-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.27
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide (CID 155949179) is 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1ncc(CNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)s1.

What is the InChIKey of 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is DCYNNFJKHJERBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S/c1-9-19-6-11(25-9)7-20-16(22)14-5-10(24-21-14)8-23-15-12(17)3-2-4-13(15)18/h2-6H,7-8H2,1H3,(H,20,22).

What are the key properties of 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide?

5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 398.27 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155949179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).