4-butyl-4H-oxadiazol-5-one

C6H10N2O2 — CID 129133569

IUPAC4-butyl-4H-oxadiazol-5-one
SMILESCCCCC1N=NOC1=O
InChIInChI=1S/C6H10N2O2/c1-2-3-4-5-6(9)10-8-7-5/h5H,2-4H2,1H3
InChIKeySAEGUMGRUOQWRD-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.47
Rot. Bonds3

About 4-butyl-4H-oxadiazol-5-one

4-butyl-4H-oxadiazol-5-one (PubChem CID 129133569) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-butyl-4H-oxadiazol-5-one.

Molecular Properties

Compound Name4-butyl-4H-oxadiazol-5-one
PubChem CID129133569
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4-butyl-4H-oxadiazol-5-one
SMILESCCCCC1N=NOC1=O
InChIInChI=1S/C6H10N2O2/c1-2-3-4-5-6(9)10-8-7-5/h5H,2-4H2,1H3
InChIKeySAEGUMGRUOQWRD-UHFFFAOYSA-N
XLogP1.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-butyl-2-phenyl-4H-1,3-oxazol-5-one;pentane
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3-butyloxan-2-one;ethane
CID 142135562
4-hexyl-4H-triazin-5-one
CID 150287758
3-nonyloxetane-2,4-dione
CID 87532887
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4H-oxadiazol-5-one?
The IUPAC name of 4-butyl-4H-oxadiazol-5-one (CID 129133569) is 4-butyl-4H-oxadiazol-5-one.
What is the SMILES notation for 4-butyl-4H-oxadiazol-5-one?
The canonical SMILES for 4-butyl-4H-oxadiazol-5-one is CCCCC1N=NOC1=O.
What is the InChIKey of 4-butyl-4H-oxadiazol-5-one?
The InChIKey is SAEGUMGRUOQWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-3-4-5-6(9)10-8-7-5/h5H,2-4H2,1H3.
What are the key properties of 4-butyl-4H-oxadiazol-5-one?
4-butyl-4H-oxadiazol-5-one has a molecular weight of 142.16 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4H-oxadiazol-5-one is sourced from PubChem (CID 129133569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).