2-(1,3-oxazol-4-yl)ethyl acetate

C7H9NO3 — CID 154014083

IUPAC2-(1,3-oxazol-4-yl)ethyl acetate
SMILESCC(=O)OCCc1cocn1
InChIInChI=1S/C7H9NO3/c1-6(9)11-3-2-7-4-10-5-8-7/h4-5H,2-3H2,1H3
InChIKeyZOVBTHLENYPSGV-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.78
Rot. Bonds3

About 2-(1,3-oxazol-4-yl)ethyl acetate

2-(1,3-oxazol-4-yl)ethyl acetate (PubChem CID 154014083) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(1,3-oxazol-4-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1,3-oxazol-4-yl)ethyl acetate
PubChem CID154014083
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(1,3-oxazol-4-yl)ethyl acetate
SMILESCC(=O)OCCc1cocn1
InChIInChI=1S/C7H9NO3/c1-6(9)11-3-2-7-4-10-5-8-7/h4-5H,2-3H2,1H3
InChIKeyZOVBTHLENYPSGV-UHFFFAOYSA-N
XLogP0.78
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate
CID 175462165
2-[5-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]ethyl acetate
CID 46782229
2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate
CID 143684331
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]ethyl acetate;hydrate;hydrochloride
CID 88710919
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
2-phenylethyl acetate
CID 7654
2-(5-bromo-6-chloro-3-pyridinyl)ethyl acetate
CID 151740003
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
2-(1,3-oxazol-4-yl)-N-propylacetamide
CID 110686223
acetic acid;2-phenylethyl acetate
CID 174791962
2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate
CID 56624866

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-4-yl)ethyl acetate?
The IUPAC name of 2-(1,3-oxazol-4-yl)ethyl acetate (CID 154014083) is 2-(1,3-oxazol-4-yl)ethyl acetate.
What is the SMILES notation for 2-(1,3-oxazol-4-yl)ethyl acetate?
The canonical SMILES for 2-(1,3-oxazol-4-yl)ethyl acetate is CC(=O)OCCc1cocn1.
What is the InChIKey of 2-(1,3-oxazol-4-yl)ethyl acetate?
The InChIKey is ZOVBTHLENYPSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-6(9)11-3-2-7-4-10-5-8-7/h4-5H,2-3H2,1H3.
What are the key properties of 2-(1,3-oxazol-4-yl)ethyl acetate?
2-(1,3-oxazol-4-yl)ethyl acetate has a molecular weight of 155.15 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-4-yl)ethyl acetate is sourced from PubChem (CID 154014083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).