5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid

C10H13F3N2O3 — CID 79953550

IUPAC5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)6-5-7-14-8(18-15-7)3-1-2-4-9(16)17/h1-6H2,(H,16,17)
InChIKeyGLQBKQMZTKPHEI-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.36
Rot. Bonds7

About 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid

5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid (PubChem CID 79953550) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
PubChem CID79953550
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)6-5-7-14-8(18-15-7)3-1-2-4-9(16)17/h1-6H2,(H,16,17)
InChIKeyGLQBKQMZTKPHEI-UHFFFAOYSA-N
XLogP2.36
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The IUPAC name of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid (CID 79953550) is 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The canonical SMILES for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid is O=C(O)CCCCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
The InChIKey is GLQBKQMZTKPHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c11-10(12,13)6-5-7-14-8(18-15-7)3-1-2-4-9(16)17/h1-6H2,(H,16,17).
What are the key properties of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid?
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid has a molecular weight of 266.22 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentanoic acid is sourced from PubChem (CID 79953550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).