ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole

C10H15NO2 — CID 143157807

IUPACethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole
SMILESC=CO/C(=C\C)c1ccon1.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-3-8(10-4-2)7-5-6-11-9-7;1-2/h3-6H,2H2,1H3;1-2H3/b8-3-;
InChIKeyOYOPIUBOFUIUMD-NGRDVXTNSA-N
MW181.23 g/mol
LogP3.22
Rot. Bonds3

About ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole

ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole (PubChem CID 143157807) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole
PubChem CID143157807
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole
SMILESC=CO/C(=C\C)c1ccon1.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-3-8(10-4-2)7-5-6-11-9-7;1-2/h3-6H,2H2,1H3;1-2H3/b8-3-;
InChIKeyOYOPIUBOFUIUMD-NGRDVXTNSA-N
XLogP3.22
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole?
The IUPAC name of ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole (CID 143157807) is ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole is C=CO/C(=C\C)c1ccon1.CC.
What is the InChIKey of ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole?
The InChIKey is OYOPIUBOFUIUMD-NGRDVXTNSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-3-8(10-4-2)7-5-6-11-9-7;1-2/h3-6H,2H2,1H3;1-2H3/b8-3-;.
What are the key properties of ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole?
ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole has a molecular weight of 181.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole is sourced from PubChem (CID 143157807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).