[4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate

C10H15NO5 — CID 71249102

IUPAC[4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCC1(COC(C)=O)COC(C)=N1
InChIInChI=1S/C10H15NO5/c1-7-11-10(4-14-7,5-15-8(2)12)6-16-9(3)13/h4-6H2,1-3H3
InChIKeyOHOJEQOQOGMTBN-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.30
Rot. Bonds4

About [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate

[4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate (PubChem CID 71249102) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate
PubChem CID71249102
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name[4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCC1(COC(C)=O)COC(C)=N1
InChIInChI=1S/C10H15NO5/c1-7-11-10(4-14-7,5-15-8(2)12)6-16-9(3)13/h4-6H2,1-3H3
InChIKeyOHOJEQOQOGMTBN-UHFFFAOYSA-N
XLogP0.30
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate?
The IUPAC name of [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate (CID 71249102) is [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate.
What is the SMILES notation for [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate?
The canonical SMILES for [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate is CC(=O)OCC1(COC(C)=O)COC(C)=N1.
What is the InChIKey of [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate?
The InChIKey is OHOJEQOQOGMTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-7-11-10(4-14-7,5-15-8(2)12)6-16-9(3)13/h4-6H2,1-3H3.
What are the key properties of [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate?
[4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate has a molecular weight of 229.23 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(acetyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl acetate is sourced from PubChem (CID 71249102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).