5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide

C17H16ClN3O4S — CID 24790688

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCc3nc(C)cs3)no2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O4S/c1-10-9-26-16(20-10)7-19-17(22)14-6-12(25-21-14)8-24-15-4-3-11(23-2)5-13(15)18/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyZIAWVAJVWSNWHS-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.61
Rot. Bonds7

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24790688) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24790688
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCc3nc(C)cs3)no2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O4S/c1-10-9-26-16(20-10)7-19-17(22)14-6-12(25-21-14)8-24-15-4-3-11(23-2)5-13(15)18/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyZIAWVAJVWSNWHS-UHFFFAOYSA-N
XLogP3.61
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24790688) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NCc3nc(C)cs3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZIAWVAJVWSNWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-10-9-26-16(20-10)7-19-17(22)14-6-12(25-21-14)8-24-15-4-3-11(23-2)5-13(15)18/h3-6,9H,7-8H2,1-2H3,(H,19,22).
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 393.85 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).