4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide

C23H24F3N5O3 — CID 71557795

IUPAC4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24F3N5O3/c24-23(25,26)21-28-20(29-34-21)18-6-8-19(9-7-18)33-15-10-27-22(32)31-13-11-30(12-14-31)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,27,32)
InChIKeyIZKWBPABTHSECO-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.66
Rot. Bonds7

About 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide

4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide (PubChem CID 71557795) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide
PubChem CID71557795
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24F3N5O3/c24-23(25,26)21-28-20(29-34-21)18-6-8-19(9-7-18)33-15-10-27-22(32)31-13-11-30(12-14-31)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,27,32)
InChIKeyIZKWBPABTHSECO-UHFFFAOYSA-N
XLogP3.66
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide (CID 71557795) is 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide is O=C(NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide?
The InChIKey is IZKWBPABTHSECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c24-23(25,26)21-28-20(29-34-21)18-6-8-19(9-7-18)33-15-10-27-22(32)31-13-11-30(12-14-31)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,27,32).
What are the key properties of 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide?
4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 71557795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).