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

C11H13N3O3 — CID 23005595

IUPACethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cn(C)nc2C)on1
InChIInChI=1S/C11H13N3O3/c1-4-16-11(15)9-5-10(17-13-9)8-6-14(3)12-7(8)2/h5-6H,4H2,1-3H3
InChIKeyRLSDRHPYTWYRAF-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.56
Rot. Bonds3

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

ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate (PubChem CID 23005595) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
PubChem CID23005595
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cn(C)nc2C)on1
InChIInChI=1S/C11H13N3O3/c1-4-16-11(15)9-5-10(17-13-9)8-6-14(3)12-7(8)2/h5-6H,4H2,1-3H3
InChIKeyRLSDRHPYTWYRAF-UHFFFAOYSA-N
XLogP1.56
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate (CID 23005595) is ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cn(C)nc2C)on1.
What is the InChIKey of ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is RLSDRHPYTWYRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-4-16-11(15)9-5-10(17-13-9)8-6-14(3)12-7(8)2/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 23005595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).