About 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole
5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole (PubChem CID 70851824) has the molecular formula C10H12FN3O
and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole.
Molecular Properties
| Compound Name | 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole |
| PubChem CID | 70851824 |
| Molecular Formula | C10H12FN3O |
| Molecular Weight | 209.22 g/mol |
| Exact Mass | 209.10 |
| IUPAC Name | 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole |
| SMILES | CCn1nc(-c2cnc(C)o2)c(F)c1C |
| InChI | InChI=1S/C10H12FN3O/c1-4-14-6(2)9(11)10(13-14)8-5-12-7(3)15-8/h5H,4H2,1-3H3 |
| InChIKey | VQWVWWBGUJSGMD-UHFFFAOYSA-N |
| XLogP | 2.31 |
| TPSA | 43.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 209.22 |
| LogP ≤ 5 | 2.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole (CID 70851824) is 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole is CCn1nc(-c2cnc(C)o2)c(F)c1C.
What is the InChIKey of 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole?
The InChIKey is VQWVWWBGUJSGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-4-14-6(2)9(11)10(13-14)8-5-12-7(3)15-8/h5H,4H2,1-3H3.
What are the key properties of 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole?
5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole has a molecular weight of 209.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 70851824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).