[2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate

C9H15NO5S — CID 88532350

IUPAC[2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate
SMILESCOC(C)(C)c1nc(COS(C)(=O)=O)co1
InChIInChI=1S/C9H15NO5S/c1-9(2,13-3)8-10-7(5-14-8)6-15-16(4,11)12/h5H,6H2,1-4H3
InChIKeyLPDIXUXKTDFXCF-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.03
Rot. Bonds5

About [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate

[2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate (PubChem CID 88532350) has the molecular formula C9H15NO5S and a molecular weight of 249.29 g/mol. Its IUPAC name is [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate
PubChem CID88532350
Molecular FormulaC9H15NO5S
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC Name[2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate
SMILESCOC(C)(C)c1nc(COS(C)(=O)=O)co1
InChIInChI=1S/C9H15NO5S/c1-9(2,13-3)8-10-7(5-14-8)6-15-16(4,11)12/h5H,6H2,1-4H3
InChIKeyLPDIXUXKTDFXCF-UHFFFAOYSA-N
XLogP1.03
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate?
The IUPAC name of [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate (CID 88532350) is [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate.
What is the SMILES notation for [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate?
The canonical SMILES for [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate is COC(C)(C)c1nc(COS(C)(=O)=O)co1.
What is the InChIKey of [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate?
The InChIKey is LPDIXUXKTDFXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5S/c1-9(2,13-3)8-10-7(5-14-8)6-15-16(4,11)12/h5H,6H2,1-4H3.
What are the key properties of [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate?
[2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate has a molecular weight of 249.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxypropan-2-yl)-1,3-oxazol-4-yl]methyl methanesulfonate is sourced from PubChem (CID 88532350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).