[acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate

C10H13NO5 — CID 70191447

IUPAC[acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate
SMILESCCC(=O)OC(OC(C)=O)c1cnc(C)o1
InChIInChI=1S/C10H13NO5/c1-4-9(13)16-10(15-7(3)12)8-5-11-6(2)14-8/h5,10H,4H2,1-3H3
InChIKeyIXYNALBWZVYNAX-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.50
Rot. Bonds4

About [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate

[acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate (PubChem CID 70191447) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate.

Molecular Properties

Compound Name[acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate
PubChem CID70191447
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name[acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate
SMILESCCC(=O)OC(OC(C)=O)c1cnc(C)o1
InChIInChI=1S/C10H13NO5/c1-4-9(13)16-10(15-7(3)12)8-5-11-6(2)14-8/h5,10H,4H2,1-3H3
InChIKeyIXYNALBWZVYNAX-UHFFFAOYSA-N
XLogP1.50
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate?
The IUPAC name of [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate (CID 70191447) is [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate.
What is the SMILES notation for [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate?
The canonical SMILES for [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate is CCC(=O)OC(OC(C)=O)c1cnc(C)o1.
What is the InChIKey of [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate?
The InChIKey is IXYNALBWZVYNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-4-9(13)16-10(15-7(3)12)8-5-11-6(2)14-8/h5,10H,4H2,1-3H3.
What are the key properties of [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate?
[acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate has a molecular weight of 227.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(2-methyl-1,3-oxazol-5-yl)methyl] propanoate is sourced from PubChem (CID 70191447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).