3-cyclobutyl-4H-1,2-oxazol-5-one

C7H9NO2 — CID 83845394

IUPAC3-cyclobutyl-4H-1,2-oxazol-5-one
SMILESO=C1CC(C2CCC2)=NO1
InChIInChI=1S/C7H9NO2/c9-7-4-6(8-10-7)5-2-1-3-5/h5H,1-4H2
InChIKeyUVLQWPCIMPEGOB-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.09
Rot. Bonds1

About 3-cyclobutyl-4H-1,2-oxazol-5-one

3-cyclobutyl-4H-1,2-oxazol-5-one (PubChem CID 83845394) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-cyclobutyl-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-cyclobutyl-4H-1,2-oxazol-5-one
PubChem CID83845394
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-cyclobutyl-4H-1,2-oxazol-5-one
SMILESO=C1CC(C2CCC2)=NO1
InChIInChI=1S/C7H9NO2/c9-7-4-6(8-10-7)5-2-1-3-5/h5H,1-4H2
InChIKeyUVLQWPCIMPEGOB-UHFFFAOYSA-N
XLogP1.09
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4H-1,2-oxazol-5-one?
The IUPAC name of 3-cyclobutyl-4H-1,2-oxazol-5-one (CID 83845394) is 3-cyclobutyl-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-cyclobutyl-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-cyclobutyl-4H-1,2-oxazol-5-one is O=C1CC(C2CCC2)=NO1.
What is the InChIKey of 3-cyclobutyl-4H-1,2-oxazol-5-one?
The InChIKey is UVLQWPCIMPEGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-7-4-6(8-10-7)5-2-1-3-5/h5H,1-4H2.
What are the key properties of 3-cyclobutyl-4H-1,2-oxazol-5-one?
3-cyclobutyl-4H-1,2-oxazol-5-one has a molecular weight of 139.15 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4H-1,2-oxazol-5-one is sourced from PubChem (CID 83845394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).