ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate

C18H16N2O4S — CID 16879520

IUPACethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-23-18(22)12-5-7-13(8-6-12)19-17(21)11-14-10-15(24-20-14)16-4-3-9-25-16/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyDLZDDGKZUOOKEV-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.76
Rot. Bonds6

About ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate

ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate (PubChem CID 16879520) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
PubChem CID16879520
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Nameethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-23-18(22)12-5-7-13(8-6-12)19-17(21)11-14-10-15(24-20-14)16-4-3-9-25-16/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyDLZDDGKZUOOKEV-UHFFFAOYSA-N
XLogP3.76
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879514
ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878494
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878495
N-pyridin-3-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879560
N-(4-methyl-1,3-thiazol-2-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879571
N-(1,2-oxazol-3-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879574
ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7799286
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate
CID 46388667
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate
CID 8741850

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate (CID 16879520) is ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1.
What is the InChIKey of ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate?
The InChIKey is DLZDDGKZUOOKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-23-18(22)12-5-7-13(8-6-12)19-17(21)11-14-10-15(24-20-14)16-4-3-9-25-16/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate has a molecular weight of 356.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 16879520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).