ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate

C11H14N4O3 — CID 66126518

IUPACethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(C)nn2C)oc1N
InChIInChI=1S/C11H14N4O3/c1-4-17-11(16)8-9(12)18-10(13-8)7-5-6(2)14-15(7)3/h5H,4,12H2,1-3H3
InChIKeyXRTRHJOZKCYSMO-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.14
Rot. Bonds3

About ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate

ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 66126518) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID66126518
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Nameethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(C)nn2C)oc1N
InChIInChI=1S/C11H14N4O3/c1-4-17-11(16)8-9(12)18-10(13-8)7-5-6(2)14-15(7)3/h5H,4,12H2,1-3H3
InChIKeyXRTRHJOZKCYSMO-UHFFFAOYSA-N
XLogP1.14
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 66128860
ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate
CID 66008266
2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 66128650
ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 66008471
ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 66009506
ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate
CID 107967052
ethyl 5-amino-2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxylate
CID 66010372
ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007439
ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007853
ethyl 5-amino-2-methyl-1,3-oxazole-4-carboxylate;ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
CID 159620918
ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 81262078
2-(3-ethyl-1-methylpyrazol-5-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 66121945

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate (CID 66126518) is ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2cc(C)nn2C)oc1N.
What is the InChIKey of ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is XRTRHJOZKCYSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-4-17-11(16)8-9(12)18-10(13-8)7-5-6(2)14-15(7)3/h5H,4,12H2,1-3H3.
What are the key properties of ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 250.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66126518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).