About 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 66158345) has the molecular formula C10H16N2O3
and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
Molecular Properties
| Compound Name | 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide |
| PubChem CID | 66158345 |
| Molecular Formula | C10H16N2O3 |
| Molecular Weight | 212.25 g/mol |
| Exact Mass | 212.12 |
| IUPAC Name | 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide |
| SMILES | COCc1cc(C(=O)NCC(C)C)no1 |
| InChI | InChI=1S/C10H16N2O3/c1-7(2)5-11-10(13)9-4-8(6-14-3)15-12-9/h4,7H,5-6H2,1-3H3,(H,11,13) |
| InChIKey | FKBSEDBGXWZTAD-UHFFFAOYSA-N |
| XLogP | 1.21 |
| TPSA | 64.36 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 212.25 |
| LogP ≤ 5 | 1.21 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 66158345) is 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NCC(C)C)no1.
What is the InChIKey of 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FKBSEDBGXWZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)5-11-10(13)9-4-8(6-14-3)15-12-9/h4,7H,5-6H2,1-3H3,(H,11,13).
What are the key properties of 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66158345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).