3-ethenyl-2-ethyl-2H-1,3-oxazole

C7H11NO — CID 67310568

IUPAC3-ethenyl-2-ethyl-2H-1,3-oxazole
SMILESC=CN1C=COC1CC
InChIInChI=1S/C7H11NO/c1-3-7-8(4-2)5-6-9-7/h4-7H,2-3H2,1H3
InChIKeyJTYUAVCDHDYKQF-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.67
Rot. Bonds2

About 3-ethenyl-2-ethyl-2H-1,3-oxazole

3-ethenyl-2-ethyl-2H-1,3-oxazole (PubChem CID 67310568) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethenyl-2-ethyl-2H-1,3-oxazole.

Molecular Properties

Compound Name3-ethenyl-2-ethyl-2H-1,3-oxazole
PubChem CID67310568
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-ethenyl-2-ethyl-2H-1,3-oxazole
SMILESC=CN1C=COC1CC
InChIInChI=1S/C7H11NO/c1-3-7-8(4-2)5-6-9-7/h4-7H,2-3H2,1H3
InChIKeyJTYUAVCDHDYKQF-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-ethyl-2H-1,3-oxazole?
The IUPAC name of 3-ethenyl-2-ethyl-2H-1,3-oxazole (CID 67310568) is 3-ethenyl-2-ethyl-2H-1,3-oxazole.
What is the SMILES notation for 3-ethenyl-2-ethyl-2H-1,3-oxazole?
The canonical SMILES for 3-ethenyl-2-ethyl-2H-1,3-oxazole is C=CN1C=COC1CC.
What is the InChIKey of 3-ethenyl-2-ethyl-2H-1,3-oxazole?
The InChIKey is JTYUAVCDHDYKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-7-8(4-2)5-6-9-7/h4-7H,2-3H2,1H3.
What are the key properties of 3-ethenyl-2-ethyl-2H-1,3-oxazole?
3-ethenyl-2-ethyl-2H-1,3-oxazole has a molecular weight of 125.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-ethyl-2H-1,3-oxazole is sourced from PubChem (CID 67310568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).