1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone

C8H11NO3 — CID 115081953

IUPAC1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone
SMILESCOCCc1nc(C(C)=O)co1
InChIInChI=1S/C8H11NO3/c1-6(10)7-5-12-8(9-7)3-4-11-2/h5H,3-4H2,1-2H3
InChIKeyGVJCXVJSMZZXBK-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.07
Rot. Bonds4

About 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone

1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 115081953) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone
PubChem CID115081953
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone
SMILESCOCCc1nc(C(C)=O)co1
InChIInChI=1S/C8H11NO3/c1-6(10)7-5-12-8(9-7)3-4-11-2/h5H,3-4H2,1-2H3
InChIKeyGVJCXVJSMZZXBK-UHFFFAOYSA-N
XLogP1.07
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone (CID 115081953) is 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone is COCCc1nc(C(C)=O)co1.
What is the InChIKey of 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is GVJCXVJSMZZXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)7-5-12-8(9-7)3-4-11-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone?
1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 169.18 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 115081953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).