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

C5H6N2O2 — CID 135977775

IUPAC3-cyclopropyl-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(C2CC2)no1
InChIInChI=1S/C5H6N2O2/c8-5-6-4(7-9-5)3-1-2-3/h3H,1-2H2,(H,6,7,8)
InChIKeyQMGWSHRKLCKRBV-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.24
Rot. Bonds1

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

3-cyclopropyl-4H-1,2,4-oxadiazol-5-one (PubChem CID 135977775) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-4H-1,2,4-oxadiazol-5-one
PubChem CID135977775
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name3-cyclopropyl-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(C2CC2)no1
InChIInChI=1S/C5H6N2O2/c8-5-6-4(7-9-5)3-1-2-3/h3H,1-2H2,(H,6,7,8)
InChIKeyQMGWSHRKLCKRBV-UHFFFAOYSA-N
XLogP0.24
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one (CID 135977775) is 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is QMGWSHRKLCKRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-5-6-4(7-9-5)3-1-2-3/h3H,1-2H2,(H,6,7,8).
What are the key properties of 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one?
3-cyclopropyl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 126.11 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135977775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).