3-ethenyl-1,2-oxazole

C5H5NO — CID 11018809

IUPAC3-ethenyl-1,2-oxazole
SMILESC=Cc1ccon1
InChIInChI=1S/C5H5NO/c1-2-5-3-4-7-6-5/h2-4H,1H2
InChIKeyWHALRBQHHBHKEO-UHFFFAOYSA-N
MW95.10 g/mol
LogP1.32
Rot. Bonds1

About 3-ethenyl-1,2-oxazole

3-ethenyl-1,2-oxazole (PubChem CID 11018809) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 3-ethenyl-1,2-oxazole.

Molecular Properties

Compound Name3-ethenyl-1,2-oxazole
PubChem CID11018809
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name3-ethenyl-1,2-oxazole
SMILESC=Cc1ccon1
InChIInChI=1S/C5H5NO/c1-2-5-3-4-7-6-5/h2-4H,1H2
InChIKeyWHALRBQHHBHKEO-UHFFFAOYSA-N
XLogP1.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,2-oxazole?
The IUPAC name of 3-ethenyl-1,2-oxazole (CID 11018809) is 3-ethenyl-1,2-oxazole.
What is the SMILES notation for 3-ethenyl-1,2-oxazole?
The canonical SMILES for 3-ethenyl-1,2-oxazole is C=Cc1ccon1.
What is the InChIKey of 3-ethenyl-1,2-oxazole?
The InChIKey is WHALRBQHHBHKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c1-2-5-3-4-7-6-5/h2-4H,1H2.
What are the key properties of 3-ethenyl-1,2-oxazole?
3-ethenyl-1,2-oxazole has a molecular weight of 95.10 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2-oxazole is sourced from PubChem (CID 11018809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).