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

C6H10N2O2 — CID 135773291

IUPAC3-butyl-4H-1,2,4-oxadiazol-5-one
SMILESCCCCc1noc(=O)[nH]1
InChIInChI=1S/C6H10N2O2/c1-2-3-4-5-7-6(9)10-8-5/h2-4H2,1H3,(H,7,8,9)
InChIKeyAJNDENVCZRTLHN-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.71
Rot. Bonds3

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

3-butyl-4H-1,2,4-oxadiazol-5-one (PubChem CID 135773291) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-butyl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-butyl-4H-1,2,4-oxadiazol-5-one
PubChem CID135773291
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-butyl-4H-1,2,4-oxadiazol-5-one
SMILESCCCCc1noc(=O)[nH]1
InChIInChI=1S/C6H10N2O2/c1-2-3-4-5-7-6(9)10-8-5/h2-4H2,1H3,(H,7,8,9)
InChIKeyAJNDENVCZRTLHN-UHFFFAOYSA-N
XLogP0.71
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-butyl-4H-1,2,4-oxadiazol-5-one (CID 135773291) is 3-butyl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-butyl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-butyl-4H-1,2,4-oxadiazol-5-one is CCCCc1noc(=O)[nH]1.
What is the InChIKey of 3-butyl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is AJNDENVCZRTLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-3-4-5-7-6(9)10-8-5/h2-4H2,1H3,(H,7,8,9).
What are the key properties of 3-butyl-4H-1,2,4-oxadiazol-5-one?
3-butyl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 142.16 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135773291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).