5-(3-propoxypropyl)-1,2,4-oxadiazole

C8H14N2O2 — CID 91468959

IUPAC5-(3-propoxypropyl)-1,2,4-oxadiazole
SMILESCCCOCCCc1ncno1
InChIInChI=1S/C8H14N2O2/c1-2-5-11-6-3-4-8-9-7-10-12-8/h7H,2-6H2,1H3
InChIKeyQHLGONNDHKLDLA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.43
Rot. Bonds6

About 5-(3-propoxypropyl)-1,2,4-oxadiazole

5-(3-propoxypropyl)-1,2,4-oxadiazole (PubChem CID 91468959) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-(3-propoxypropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-propoxypropyl)-1,2,4-oxadiazole
PubChem CID91468959
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-(3-propoxypropyl)-1,2,4-oxadiazole
SMILESCCCOCCCc1ncno1
InChIInChI=1S/C8H14N2O2/c1-2-5-11-6-3-4-8-9-7-10-12-8/h7H,2-6H2,1H3
InChIKeyQHLGONNDHKLDLA-UHFFFAOYSA-N
XLogP1.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.43
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 5-(3-propoxypropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-propoxypropyl)-1,2,4-oxadiazole (CID 91468959) is 5-(3-propoxypropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-propoxypropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-propoxypropyl)-1,2,4-oxadiazole is CCCOCCCc1ncno1.
What is the InChIKey of 5-(3-propoxypropyl)-1,2,4-oxadiazole?
The InChIKey is QHLGONNDHKLDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-5-11-6-3-4-8-9-7-10-12-8/h7H,2-6H2,1H3.
What are the key properties of 5-(3-propoxypropyl)-1,2,4-oxadiazole?
5-(3-propoxypropyl)-1,2,4-oxadiazole has a molecular weight of 170.21 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propoxypropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91468959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).