[2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate

C13H21NO5 — CID 154104345

IUPAC[2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate
SMILESCCC(=O)OCC1(COC(=O)CC)COC(CC)=N1
InChIInChI=1S/C13H21NO5/c1-4-10-14-13(7-17-10,8-18-11(15)5-2)9-19-12(16)6-3/h4-9H2,1-3H3
InChIKeyCSPCDWJMJUJKHA-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.47
Rot. Bonds7

About [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate

[2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate (PubChem CID 154104345) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate.

Molecular Properties

Compound Name[2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate
PubChem CID154104345
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name[2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate
SMILESCCC(=O)OCC1(COC(=O)CC)COC(CC)=N1
InChIInChI=1S/C13H21NO5/c1-4-10-14-13(7-17-10,8-18-11(15)5-2)9-19-12(16)6-3/h4-9H2,1-3H3
InChIKeyCSPCDWJMJUJKHA-UHFFFAOYSA-N
XLogP1.47
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-Butyl 2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)propanoate
CID 45097990
[3-(acetyloxymethyl)-5-methyl-6-oxo-2H-1,4-oxazin-3-yl]methyl acetate
CID 121006261
2-[(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881964
(2,4-diethyl-5H-1,3-oxazol-4-yl)methyl propanoate
CID 20360853
(2,4-diethyl-5H-1,3-oxazol-4-yl)methyl acetate
CID 20360854
2-Propyl-4-methyl-4-propionyloxymethyl-2-oxazoline
CID 20360856
(2-ethyl-4-methyl-5H-1,3-oxazol-4-yl)methyl propanoate
CID 20360860
2-Methyl-4-ethyl-4-butyryloxymethyl-2-oxazoline
CID 20360861
[2-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate
CID 20360862
2-[1-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 23056147
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylpropyl] acetate
CID 69570838
[2-(acetyloxymethyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butyl] acetate
CID 69570889

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate?
The IUPAC name of [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate (CID 154104345) is [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate.
What is the SMILES notation for [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate?
The canonical SMILES for [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate is CCC(=O)OCC1(COC(=O)CC)COC(CC)=N1.
What is the InChIKey of [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate?
The InChIKey is CSPCDWJMJUJKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-4-10-14-13(7-17-10,8-18-11(15)5-2)9-19-12(16)6-3/h4-9H2,1-3H3.
What are the key properties of [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate?
[2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate has a molecular weight of 271.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-(propanoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl propanoate is sourced from PubChem (CID 154104345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).