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

C17H14N2O4S — CID 17013196

IUPACethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C17H14N2O4S/c1-2-22-17(21)11-5-7-12(8-6-11)18-16(20)13-10-14(23-19-13)15-4-3-9-24-15/h3-10H,2H2,1H3,(H,18,20)
InChIKeyAILCDKOYJIBNIP-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.83
Rot. Bonds5

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

ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate (PubChem CID 17013196) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
PubChem CID17013196
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Nameethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C17H14N2O4S/c1-2-22-17(21)11-5-7-12(8-6-11)18-16(20)13-10-14(23-19-13)15-4-3-9-24-15/h3-10H,2H2,1H3,(H,18,20)
InChIKeyAILCDKOYJIBNIP-UHFFFAOYSA-N
XLogP3.83
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 16879520
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate
CID 46388667
ethyl 4-phenyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 17253080
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 51310436
ethyl 4-[(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
CID 42271107
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022321
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55609816

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate (CID 17013196) is ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1.
What is the InChIKey of ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
The InChIKey is AILCDKOYJIBNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-2-22-17(21)11-5-7-12(8-6-11)18-16(20)13-10-14(23-19-13)15-4-3-9-24-15/h3-10H,2H2,1H3,(H,18,20).
What are the key properties of ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate has a molecular weight of 342.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 17013196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).