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

C8H9F3N2O3 — CID 135302270

IUPAC5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid
SMILESO=C(O)CCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)7-12-5(13-16-7)3-1-2-4-6(14)15/h1-4H2,(H,14,15)
InChIKeyOYFXTXRKEYYSPU-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.89
Rot. Bonds5

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

5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid (PubChem CID 135302270) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid
PubChem CID135302270
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid
SMILESO=C(O)CCCCc1noc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)7-12-5(13-16-7)3-1-2-4-6(14)15/h1-4H2,(H,14,15)
InChIKeyOYFXTXRKEYYSPU-UHFFFAOYSA-N
XLogP1.89
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.89
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-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid?
The IUPAC name of 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid (CID 135302270) is 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid.
What is the SMILES notation for 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid?
The canonical SMILES for 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid is O=C(O)CCCCc1noc(C(F)(F)F)n1.
What is the InChIKey of 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid?
The InChIKey is OYFXTXRKEYYSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c9-8(10,11)7-12-5(13-16-7)3-1-2-4-6(14)15/h1-4H2,(H,14,15).
What are the key properties of 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid?
5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid has a molecular weight of 238.16 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoic acid is sourced from PubChem (CID 135302270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).