piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone

C14H12F3N3O3 — CID 170355026

IUPACpiperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESO=C(c1noc(-c2cc(F)c(F)c(O)c2F)n1)N1CCCCC1
InChIInChI=1S/C14H12F3N3O3/c15-8-6-7(9(16)11(21)10(8)17)13-18-12(19-23-13)14(22)20-4-2-1-3-5-20/h6,21H,1-5H2
InChIKeyOOJYBMNNYGKMCE-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.49
Rot. Bonds2

About piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone

piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone (PubChem CID 170355026) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone
PubChem CID170355026
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Namepiperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESO=C(c1noc(-c2cc(F)c(F)c(O)c2F)n1)N1CCCCC1
InChIInChI=1S/C14H12F3N3O3/c15-8-6-7(9(16)11(21)10(8)17)13-18-12(19-23-13)14(22)20-4-2-1-3-5-20/h6,21H,1-5H2
InChIKeyOOJYBMNNYGKMCE-UHFFFAOYSA-N
XLogP2.49
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone (CID 170355026) is piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone is O=C(c1noc(-c2cc(F)c(F)c(O)c2F)n1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The InChIKey is OOJYBMNNYGKMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c15-8-6-7(9(16)11(21)10(8)17)13-18-12(19-23-13)14(22)20-4-2-1-3-5-20/h6,21H,1-5H2.
What are the key properties of piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone has a molecular weight of 327.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone is sourced from PubChem (CID 170355026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).