5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C15H27N3O — CID 65427943

IUPAC5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCCCCCCCCc1nc(C2CCCN2)no1
InChIInChI=1S/C15H27N3O/c1-2-3-4-5-6-7-8-11-14-17-15(18-19-14)13-10-9-12-16-13/h13,16H,2-12H2,1H3
InChIKeyMISSBWUDECQGGB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds9

About 5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 65427943) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID65427943
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCCCCCCCCc1nc(C2CCCN2)no1
InChIInChI=1S/C15H27N3O/c1-2-3-4-5-6-7-8-11-14-17-15(18-19-14)13-10-9-12-16-13/h13,16H,2-12H2,1H3
InChIKeyMISSBWUDECQGGB-UHFFFAOYSA-N
XLogP3.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
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-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 65427943) is 5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is CCCCCCCCCc1nc(C2CCCN2)no1.
What is the InChIKey of 5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is MISSBWUDECQGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-3-4-5-6-7-8-11-14-17-15(18-19-14)13-10-9-12-16-13/h13,16H,2-12H2,1H3.
What are the key properties of 5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 265.40 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 65427943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).