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

C11H11N3O4 — CID 5063334

IUPACethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnn2C(C)=O)on1
InChIInChI=1S/C11H11N3O4/c1-3-17-11(16)8-6-10(18-13-8)9-4-5-12-14(9)7(2)15/h4-6H,3H2,1-2H3
InChIKeyMCSRJXBNLFRGQU-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.37
Rot. Bonds3

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

ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate (PubChem CID 5063334) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate
PubChem CID5063334
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Nameethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnn2C(C)=O)on1
InChIInChI=1S/C11H11N3O4/c1-3-17-11(16)8-6-10(18-13-8)9-4-5-12-14(9)7(2)15/h4-6H,3H2,1-2H3
InChIKeyMCSRJXBNLFRGQU-UHFFFAOYSA-N
XLogP1.37
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 5-(3-ethylpyrazin-2-yl)-1,2-oxazole-3-carboxylate
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ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
CID 23005595
ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate
CID 146220672
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
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ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate
CID 153446437
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
ethyl 5-(2,6-dichloro-3-fluorophenyl)-1,2-oxazole-3-carboxylate
CID 154791538
ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate
CID 168876067
ethyl 5-[(3-amino-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 46949174

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate (CID 5063334) is ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccnn2C(C)=O)on1.
What is the InChIKey of ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is MCSRJXBNLFRGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-3-17-11(16)8-6-10(18-13-8)9-4-5-12-14(9)7(2)15/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 249.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 5063334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).