[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid

C24H24F3N3O5 — CID 70682972

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccc(-c2noc(-c3ccccc3)n2)c1)N1CCCCC1CCO
InChIInChI=1S/C22H23N3O3.C2HF3O2/c26-14-12-19-11-4-5-13-25(19)22(27)18-10-6-9-17(15-18)20-23-21(28-24-20)16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-3,6-10,15,19,26H,4-5,11-14H2;(H,6,7)
InChIKeyFMERXJLRGBTYNR-UHFFFAOYSA-N
MW491.47 g/mol
LogP4.41
Rot. Bonds5

About [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid

[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 70682972) has the molecular formula C24H24F3N3O5 and a molecular weight of 491.47 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid
PubChem CID70682972
Molecular FormulaC24H24F3N3O5
Molecular Weight491.47 g/mol
Exact Mass491.17
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccc(-c2noc(-c3ccccc3)n2)c1)N1CCCCC1CCO
InChIInChI=1S/C22H23N3O3.C2HF3O2/c26-14-12-19-11-4-5-13-25(19)22(27)18-10-6-9-17(15-18)20-23-21(28-24-20)16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-3,6-10,15,19,26H,4-5,11-14H2;(H,6,7)
InChIKeyFMERXJLRGBTYNR-UHFFFAOYSA-N
XLogP4.41
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic 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 [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid (CID 70682972) is [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cccc(-c2noc(-c3ccccc3)n2)c1)N1CCCCC1CCO.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is FMERXJLRGBTYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.C2HF3O2/c26-14-12-19-11-4-5-13-25(19)22(27)18-10-6-9-17(15-18)20-23-21(28-24-20)16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-3,6-10,15,19,26H,4-5,11-14H2;(H,6,7).
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid?
[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 491.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70682972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).