5-ethenyl-4-methyl-3H-1,3-oxazol-2-one

C6H7NO2 — CID 67523329

IUPAC5-ethenyl-4-methyl-3H-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)[nH]c1C
InChIInChI=1S/C6H7NO2/c1-3-5-4(2)7-6(8)9-5/h3H,1H2,2H3,(H,7,8)
InChIKeyQRDKIFDDPLWHEA-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.92
Rot. Bonds1

About 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one

5-ethenyl-4-methyl-3H-1,3-oxazol-2-one (PubChem CID 67523329) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-ethenyl-4-methyl-3H-1,3-oxazol-2-one
PubChem CID67523329
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name5-ethenyl-4-methyl-3H-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)[nH]c1C
InChIInChI=1S/C6H7NO2/c1-3-5-4(2)7-6(8)9-5/h3H,1H2,2H3,(H,7,8)
InChIKeyQRDKIFDDPLWHEA-UHFFFAOYSA-N
XLogP0.92
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one?
The IUPAC name of 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one (CID 67523329) is 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one is C=Cc1oc(=O)[nH]c1C.
What is the InChIKey of 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one?
The InChIKey is QRDKIFDDPLWHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-3-5-4(2)7-6(8)9-5/h3H,1H2,2H3,(H,7,8).
What are the key properties of 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one?
5-ethenyl-4-methyl-3H-1,3-oxazol-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 67523329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).