2,5-dipentyl-1,3,4-oxadiazole

C12H22N2O — CID 15312529

IUPAC2,5-dipentyl-1,3,4-oxadiazole
SMILESCCCCCc1nnc(CCCCC)o1
InChIInChI=1S/C12H22N2O/c1-3-5-7-9-11-13-14-12(15-11)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyYHSAOGDMLDJGPA-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.54
Rot. Bonds8

About 2,5-dipentyl-1,3,4-oxadiazole

2,5-dipentyl-1,3,4-oxadiazole (PubChem CID 15312529) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,5-dipentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-dipentyl-1,3,4-oxadiazole
PubChem CID15312529
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,5-dipentyl-1,3,4-oxadiazole
SMILESCCCCCc1nnc(CCCCC)o1
InChIInChI=1S/C12H22N2O/c1-3-5-7-9-11-13-14-12(15-11)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyYHSAOGDMLDJGPA-UHFFFAOYSA-N
XLogP3.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,5-dipentyl-1,3,4-oxadiazole?
The IUPAC name of 2,5-dipentyl-1,3,4-oxadiazole (CID 15312529) is 2,5-dipentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-dipentyl-1,3,4-oxadiazole?
The canonical SMILES for 2,5-dipentyl-1,3,4-oxadiazole is CCCCCc1nnc(CCCCC)o1.
What is the InChIKey of 2,5-dipentyl-1,3,4-oxadiazole?
The InChIKey is YHSAOGDMLDJGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-7-9-11-13-14-12(15-11)10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of 2,5-dipentyl-1,3,4-oxadiazole?
2,5-dipentyl-1,3,4-oxadiazole has a molecular weight of 210.32 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipentyl-1,3,4-oxadiazole is sourced from PubChem (CID 15312529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).