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

C6H8N2O2 — CID 127013072

IUPAC3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one
SMILESCn1c(C2CC2)noc1=O
InChIInChI=1S/C6H8N2O2/c1-8-5(4-2-3-4)7-10-6(8)9/h4H,2-3H2,1H3
InChIKeyYPNAXLGOHBAXOY-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.25
Rot. Bonds1

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

3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one (PubChem CID 127013072) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one
PubChem CID127013072
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one
SMILESCn1c(C2CC2)noc1=O
InChIInChI=1S/C6H8N2O2/c1-8-5(4-2-3-4)7-10-6(8)9/h4H,2-3H2,1H3
InChIKeyYPNAXLGOHBAXOY-UHFFFAOYSA-N
XLogP0.25
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one (CID 127013072) is 3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one is Cn1c(C2CC2)noc1=O.
What is the InChIKey of 3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one?
The InChIKey is YPNAXLGOHBAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-5(4-2-3-4)7-10-6(8)9/h4H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one?
3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one has a molecular weight of 140.14 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 127013072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).