2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide

C16H14N2O4S — CID 53143162

IUPAC2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3cccs3)no2)c(OC)c1
InChIInChI=1S/C16H14N2O4S/c1-20-10-5-6-11(13(8-10)21-2)16(19)17-15-9-12(18-22-15)14-4-3-7-23-14/h3-9H,1-2H3,(H,17,19)
InChIKeyRHPKPLZYMVQHPK-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.67
Rot. Bonds5

About 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide

2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide (PubChem CID 53143162) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
PubChem CID53143162
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3cccs3)no2)c(OC)c1
InChIInChI=1S/C16H14N2O4S/c1-20-10-5-6-11(13(8-10)21-2)16(19)17-15-9-12(18-22-15)14-4-3-7-23-14/h3-9H,1-2H3,(H,17,19)
InChIKeyRHPKPLZYMVQHPK-UHFFFAOYSA-N
XLogP3.67
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide (CID 53143162) is 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide is COc1ccc(C(=O)Nc2cc(-c3cccs3)no2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
The InChIKey is RHPKPLZYMVQHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-20-10-5-6-11(13(8-10)21-2)16(19)17-15-9-12(18-22-15)14-4-3-7-23-14/h3-9H,1-2H3,(H,17,19).
What are the key properties of 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide has a molecular weight of 330.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 53143162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).