ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

C10H9NO3S — CID 2745138

IUPACethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C10H9NO3S/c1-2-13-10(12)7-6-8(14-11-7)9-4-3-5-15-9/h3-6H,2H2,1H3
InChIKeyYPIUQIUZEYMWAX-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.58
Rot. Bonds3

About ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate (PubChem CID 2745138) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
PubChem CID2745138
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Nameethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C10H9NO3S/c1-2-13-10(12)7-6-8(14-11-7)9-4-3-5-15-9/h3-6H,2H2,1H3
InChIKeyYPIUQIUZEYMWAX-UHFFFAOYSA-N
XLogP2.58
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methanol
CID 2776547
5-(5-Chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 16786068
5-(Thiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 3157098
[2-(5-Bromothiophen-2-yl)-2-oxoethyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 2572725
ethyl 5-[(E)-2-(2-methylsulfanylphenyl)vinyl]isoxazole-3-carboxylate
CID 44480182
ethyl 5-[(E)-2-(3-thienyl)vinyl]isoxazole-3-carboxylate
CID 15266755
Methyl 5-(2-thienyl)isoxazole-3-carboxylate
CID 1256578
5-Thiophen-2-yl-isoxazole-3-carbaldehyde
CID 2776546
5-(Thiophen-3-yl)-1,2-oxazole-3-carboxylic acid
CID 49949595
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate
CID 8649760
[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methyl 3-fluorobenzoate
CID 16870177
(5-(2,4-Difluorophenyl)isoxazol-3-yl)methyl 2-(thiophen-2-yl)acetate
CID 27555356

Frequently Asked Questions

What is the IUPAC name of ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate (CID 2745138) is ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The InChIKey is YPIUQIUZEYMWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-2-13-10(12)7-6-8(14-11-7)9-4-3-5-15-9/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2745138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).