N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide

C22H28F3N5O2 — CID 30668026

IUPACN-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1)NC1CCCCC1
InChIInChI=1S/C22H28F3N5O2/c23-22(24,25)17-6-4-5-16(13-17)21-27-20(32-28-21)15-30-11-9-29(10-12-30)14-19(31)26-18-7-2-1-3-8-18/h4-6,13,18H,1-3,7-12,14-15H2,(H,26,31)
InChIKeyTUWQELZDSBABJV-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.32
Rot. Bonds6

About N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide

N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 30668026) has the molecular formula C22H28F3N5O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
PubChem CID30668026
Molecular FormulaC22H28F3N5O2
Molecular Weight451.49 g/mol
Exact Mass451.22
IUPAC NameN-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1)NC1CCCCC1
InChIInChI=1S/C22H28F3N5O2/c23-22(24,25)17-6-4-5-16(13-17)21-27-20(32-28-21)15-30-11-9-29(10-12-30)14-19(31)26-18-7-2-1-3-8-18/h4-6,13,18H,1-3,7-12,14-15H2,(H,26,31)
InChIKeyTUWQELZDSBABJV-UHFFFAOYSA-N
XLogP3.32
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide (CID 30668026) is N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is TUWQELZDSBABJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O2/c23-22(24,25)17-6-4-5-16(13-17)21-27-20(32-28-21)15-30-11-9-29(10-12-30)14-19(31)26-18-7-2-1-3-8-18/h4-6,13,18H,1-3,7-12,14-15H2,(H,26,31).
What are the key properties of N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 451.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30668026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).