2,4-bis(ethenyl)-3H-1,2-oxazole

C7H9NO — CID 66833750

IUPAC2,4-bis(ethenyl)-3H-1,2-oxazole
SMILESC=CC1=CON(C=C)C1
InChIInChI=1S/C7H9NO/c1-3-7-5-8(4-2)9-6-7/h3-4,6H,1-2,5H2
InChIKeyACYANTCAVOZNFB-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.45
Rot. Bonds2

About 2,4-bis(ethenyl)-3H-1,2-oxazole

2,4-bis(ethenyl)-3H-1,2-oxazole (PubChem CID 66833750) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2,4-bis(ethenyl)-3H-1,2-oxazole.

Molecular Properties

Compound Name2,4-bis(ethenyl)-3H-1,2-oxazole
PubChem CID66833750
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2,4-bis(ethenyl)-3H-1,2-oxazole
SMILESC=CC1=CON(C=C)C1
InChIInChI=1S/C7H9NO/c1-3-7-5-8(4-2)9-6-7/h3-4,6H,1-2,5H2
InChIKeyACYANTCAVOZNFB-UHFFFAOYSA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethenyl)-3H-1,2-oxazole?
The IUPAC name of 2,4-bis(ethenyl)-3H-1,2-oxazole (CID 66833750) is 2,4-bis(ethenyl)-3H-1,2-oxazole.
What is the SMILES notation for 2,4-bis(ethenyl)-3H-1,2-oxazole?
The canonical SMILES for 2,4-bis(ethenyl)-3H-1,2-oxazole is C=CC1=CON(C=C)C1.
What is the InChIKey of 2,4-bis(ethenyl)-3H-1,2-oxazole?
The InChIKey is ACYANTCAVOZNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-7-5-8(4-2)9-6-7/h3-4,6H,1-2,5H2.
What are the key properties of 2,4-bis(ethenyl)-3H-1,2-oxazole?
2,4-bis(ethenyl)-3H-1,2-oxazole has a molecular weight of 123.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethenyl)-3H-1,2-oxazole is sourced from PubChem (CID 66833750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).