3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole

C14H23F3N2O — CID 11208579

IUPAC3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole
SMILESCCCCCCCCCCCc1nc(C(F)(F)F)no1
InChIInChI=1S/C14H23F3N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19-20-12)14(15,16)17/h2-11H2,1H3
InChIKeyJUXPHTDSJVUDQG-UHFFFAOYSA-N
MW292.34 g/mol
LogP5.16
Rot. Bonds10

About 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole

3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole (PubChem CID 11208579) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole
PubChem CID11208579
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole
SMILESCCCCCCCCCCCc1nc(C(F)(F)F)no1
InChIInChI=1S/C14H23F3N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19-20-12)14(15,16)17/h2-11H2,1H3
InChIKeyJUXPHTDSJVUDQG-UHFFFAOYSA-N
XLogP5.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 55.16
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 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole?
The IUPAC name of 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole (CID 11208579) is 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole is CCCCCCCCCCCc1nc(C(F)(F)F)no1.
What is the InChIKey of 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole?
The InChIKey is JUXPHTDSJVUDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(19-20-12)14(15,16)17/h2-11H2,1H3.
What are the key properties of 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole?
3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole has a molecular weight of 292.34 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5-undecyl-1,2,4-oxadiazole is sourced from PubChem (CID 11208579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).