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

C5H7NO — CID 18430596

IUPAC3-ethenyl-2H-1,3-oxazole
SMILESC=CN1C=COC1
InChIInChI=1S/C5H7NO/c1-2-6-3-4-7-5-6/h2-4H,1,5H2
InChIKeyNIAXWFTYAJQENP-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.89
Rot. Bonds1

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

3-ethenyl-2H-1,3-oxazole (PubChem CID 18430596) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-ethenyl-2H-1,3-oxazole.

Molecular Properties

Compound Name3-ethenyl-2H-1,3-oxazole
PubChem CID18430596
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-ethenyl-2H-1,3-oxazole
SMILESC=CN1C=COC1
InChIInChI=1S/C5H7NO/c1-2-6-3-4-7-5-6/h2-4H,1,5H2
InChIKeyNIAXWFTYAJQENP-UHFFFAOYSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2H-1,3-oxazole?
The IUPAC name of 3-ethenyl-2H-1,3-oxazole (CID 18430596) is 3-ethenyl-2H-1,3-oxazole.
What is the SMILES notation for 3-ethenyl-2H-1,3-oxazole?
The canonical SMILES for 3-ethenyl-2H-1,3-oxazole is C=CN1C=COC1.
What is the InChIKey of 3-ethenyl-2H-1,3-oxazole?
The InChIKey is NIAXWFTYAJQENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-6-3-4-7-5-6/h2-4H,1,5H2.
What are the key properties of 3-ethenyl-2H-1,3-oxazole?
3-ethenyl-2H-1,3-oxazole has a molecular weight of 97.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2H-1,3-oxazole is sourced from PubChem (CID 18430596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).