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

C6H7NO2 — CID 11040700

IUPAC3-cyclopropyl-4H-1,2-oxazol-5-one
SMILESO=C1CC(C2CC2)=NO1
InChIInChI=1S/C6H7NO2/c8-6-3-5(7-9-6)4-1-2-4/h4H,1-3H2
InChIKeyZQNWHKVSUWIRPR-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.70
Rot. Bonds1

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

3-cyclopropyl-4H-1,2-oxazol-5-one (PubChem CID 11040700) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-cyclopropyl-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-4H-1,2-oxazol-5-one
PubChem CID11040700
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name3-cyclopropyl-4H-1,2-oxazol-5-one
SMILESO=C1CC(C2CC2)=NO1
InChIInChI=1S/C6H7NO2/c8-6-3-5(7-9-6)4-1-2-4/h4H,1-3H2
InChIKeyZQNWHKVSUWIRPR-UHFFFAOYSA-N
XLogP0.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.70
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-cyclopropyl-4H-1,2-oxazol-5-one?
The IUPAC name of 3-cyclopropyl-4H-1,2-oxazol-5-one (CID 11040700) is 3-cyclopropyl-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-cyclopropyl-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-cyclopropyl-4H-1,2-oxazol-5-one is O=C1CC(C2CC2)=NO1.
What is the InChIKey of 3-cyclopropyl-4H-1,2-oxazol-5-one?
The InChIKey is ZQNWHKVSUWIRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-6-3-5(7-9-6)4-1-2-4/h4H,1-3H2.
What are the key properties of 3-cyclopropyl-4H-1,2-oxazol-5-one?
3-cyclopropyl-4H-1,2-oxazol-5-one has a molecular weight of 125.13 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4H-1,2-oxazol-5-one is sourced from PubChem (CID 11040700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).