ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate

C10H11N3O4S — CID 86797144

IUPACethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(=O)n1Cc1noc(C)n1
InChIInChI=1S/C10H11N3O4S/c1-3-16-9(14)7-5-18-10(15)13(7)4-8-11-6(2)17-12-8/h5H,3-4H2,1-2H3
InChIKeyKSEAIHMNYPZJSW-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.83
Rot. Bonds4

About ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate

ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate (PubChem CID 86797144) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate
PubChem CID86797144
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Nameethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(=O)n1Cc1noc(C)n1
InChIInChI=1S/C10H11N3O4S/c1-3-16-9(14)7-5-18-10(15)13(7)4-8-11-6(2)17-12-8/h5H,3-4H2,1-2H3
InChIKeyKSEAIHMNYPZJSW-UHFFFAOYSA-N
XLogP0.83
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate (CID 86797144) is ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(=O)n1Cc1noc(C)n1.
What is the InChIKey of ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate?
The InChIKey is KSEAIHMNYPZJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-3-16-9(14)7-5-18-10(15)13(7)4-8-11-6(2)17-12-8/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate?
ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 86797144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).