3-(propoxymethyl)-1,2,4-oxadiazole

C6H10N2O2 — CID 123264088

IUPAC3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1ncon1
InChIInChI=1S/C6H10N2O2/c1-2-3-9-4-6-7-5-10-8-6/h5H,2-4H2,1H3
InChIKeyRAHNYWBKRODAJX-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.00
Rot. Bonds4

About 3-(propoxymethyl)-1,2,4-oxadiazole

3-(propoxymethyl)-1,2,4-oxadiazole (PubChem CID 123264088) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(propoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(propoxymethyl)-1,2,4-oxadiazole
PubChem CID123264088
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1ncon1
InChIInChI=1S/C6H10N2O2/c1-2-3-9-4-6-7-5-10-8-6/h5H,2-4H2,1H3
InChIKeyRAHNYWBKRODAJX-UHFFFAOYSA-N
XLogP1.00
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(propoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(propoxymethyl)-1,2,4-oxadiazole (CID 123264088) is 3-(propoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(propoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(propoxymethyl)-1,2,4-oxadiazole is CCCOCc1ncon1.
What is the InChIKey of 3-(propoxymethyl)-1,2,4-oxadiazole?
The InChIKey is RAHNYWBKRODAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-3-9-4-6-7-5-10-8-6/h5H,2-4H2,1H3.
What are the key properties of 3-(propoxymethyl)-1,2,4-oxadiazole?
3-(propoxymethyl)-1,2,4-oxadiazole has a molecular weight of 142.16 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 123264088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).