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

C5H6N2O2 — CID 19876365

IUPAC5-cyclopropyl-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C2CC2)o1
InChIInChI=1S/C5H6N2O2/c8-5-7-6-4(9-5)3-1-2-3/h3H,1-2H2,(H,7,8)
InChIKeyXQEHJYQOJAPJSG-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.24
Rot. Bonds1

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

5-cyclopropyl-3H-1,3,4-oxadiazol-2-one (PubChem CID 19876365) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-cyclopropyl-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3H-1,3,4-oxadiazol-2-one
PubChem CID19876365
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-cyclopropyl-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C2CC2)o1
InChIInChI=1S/C5H6N2O2/c8-5-7-6-4(9-5)3-1-2-3/h3H,1-2H2,(H,7,8)
InChIKeyXQEHJYQOJAPJSG-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 5-cyclopropyl-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-cyclopropyl-3H-1,3,4-oxadiazol-2-one (CID 19876365) is 5-cyclopropyl-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-cyclopropyl-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-cyclopropyl-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-3H-1,3,4-oxadiazol-2-one?
The InChIKey is XQEHJYQOJAPJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-5-7-6-4(9-5)3-1-2-3/h3H,1-2H2,(H,7,8).
What are the key properties of 5-cyclopropyl-3H-1,3,4-oxadiazol-2-one?
5-cyclopropyl-3H-1,3,4-oxadiazol-2-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 5-cyclopropyl-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 19876365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).