ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate

C12H13N3O3 — CID 154791696

IUPACethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2nccnc2CC)on1
InChIInChI=1S/C12H13N3O3/c1-3-8-11(14-6-5-13-8)10-7-9(15-18-10)12(16)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyWLRZWGHQYUSPRA-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.87
Rot. Bonds4

About ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate

ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate (PubChem CID 154791696) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate
PubChem CID154791696
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2nccnc2CC)on1
InChIInChI=1S/C12H13N3O3/c1-3-8-11(14-6-5-13-8)10-7-9(15-18-10)12(16)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyWLRZWGHQYUSPRA-UHFFFAOYSA-N
XLogP1.87
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[3-fluoro-5-(methoxymethyl)-2-pyridinyl]-1,2-oxazole-3-carboxylate
CID 146229751
ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
CID 23005595
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate
CID 5063334
ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate
CID 146220672
ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 24773533
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 68804151
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate
CID 153446437
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate (CID 154791696) is ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2nccnc2CC)on1.
What is the InChIKey of ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is WLRZWGHQYUSPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-8-11(14-6-5-13-8)10-7-9(15-18-10)12(16)17-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).