ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate

C11H12N4O4 — CID 167386601

IUPACethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2cncc(OCC)n2)o1
InChIInChI=1S/C11H12N4O4/c1-3-17-8-6-12-5-7(13-8)9-14-15-10(19-9)11(16)18-4-2/h5-6H,3-4H2,1-2H3
InChIKeyFGFQYOKMOUAIFQ-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.10
Rot. Bonds5

About ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 167386601) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID167386601
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Nameethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2cncc(OCC)n2)o1
InChIInChI=1S/C11H12N4O4/c1-3-17-8-6-12-5-7(13-8)9-14-15-10(19-9)11(16)18-4-2/h5-6H,3-4H2,1-2H3
InChIKeyFGFQYOKMOUAIFQ-UHFFFAOYSA-N
XLogP1.10
TPSA100.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 177312454
ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619393
ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 136924736
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
5-(6-ethoxypyrazin-2-yl)-3-methylpyridin-2-amine
CID 139519458
ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960764
ethyl 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112685416
5-(6-ethoxypyrazin-2-yl)-3-fluoropyridin-2-amine
CID 138673732
(6-ethoxypyrazin-2-yl)methanamine
CID 66450583
5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid
CID 163271647
ethane;5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxylic acid
CID 163271094

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate (CID 167386601) is ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2cncc(OCC)n2)o1.
What is the InChIKey of ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is FGFQYOKMOUAIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-3-17-8-6-12-5-7(13-8)9-14-15-10(19-9)11(16)18-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 264.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 167386601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).