ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

C11H12N4O3 — CID 79474428

IUPACethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCCOC(=O)C(C)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H12N4O3/c1-3-17-11(16)7(2)10-14-9(15-18-10)8-6-12-4-5-13-8/h4-7H,3H2,1-2H3
InChIKeyYYQROQKEYHFDSM-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.19
Rot. Bonds4

About ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 79474428) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID79474428
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Nameethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCCOC(=O)C(C)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H12N4O3/c1-3-17-11(16)7(2)10-14-9(15-18-10)8-6-12-4-5-13-8/h4-7H,3H2,1-2H3
InChIKeyYYQROQKEYHFDSM-UHFFFAOYSA-N
XLogP1.19
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 79474428) is ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate is CCOC(=O)C(C)c1nc(-c2cnccn2)no1.
What is the InChIKey of ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is YYQROQKEYHFDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-3-17-11(16)7(2)10-14-9(15-18-10)8-6-12-4-5-13-8/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 248.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 79474428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).