About [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol
[4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol (PubChem CID 55299662) has the molecular formula C6H13NO3
and a molecular weight of 147.17 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol.
Molecular Properties
| Compound Name | [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol |
| PubChem CID | 55299662 |
| Molecular Formula | C6H13NO3 |
| Molecular Weight | 147.17 g/mol |
| Exact Mass | 147.09 |
| IUPAC Name | [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol |
| SMILES | CC1NC(CO)(CO)CO1 |
| InChI | InChI=1S/C6H13NO3/c1-5-7-6(2-8,3-9)4-10-5/h5,7-9H,2-4H2,1H3 |
| InChIKey | TYYRMNXKFIKCNU-UHFFFAOYSA-N |
| XLogP | -1.32 |
| TPSA | 61.72 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 147.17 |
| LogP ≤ 5 | -1.32 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol (CID 55299662) is [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol is CC1NC(CO)(CO)CO1.
What is the InChIKey of [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol?
The InChIKey is TYYRMNXKFIKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5-7-6(2-8,3-9)4-10-5/h5,7-9H,2-4H2,1H3.
What are the key properties of [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol?
[4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol has a molecular weight of 147.17 g/mol, XLogP of -1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol is sourced from PubChem (CID 55299662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).