N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide

C14H22F3N5O2 — CID 136521143

IUPACN,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2nc(CC(F)(F)F)no2)C(C)(C)C1
InChIInChI=1S/C14H22F3N5O2/c1-13(2)9-21(12(23)20(3)4)5-6-22(13)8-11-18-10(19-24-11)7-14(15,16)17/h5-9H2,1-4H3
InChIKeyHMMHOXPQINTPRE-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.75
Rot. Bonds3

About N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide

N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide (PubChem CID 136521143) has the molecular formula C14H22F3N5O2 and a molecular weight of 349.36 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
PubChem CID136521143
Molecular FormulaC14H22F3N5O2
Molecular Weight349.36 g/mol
Exact Mass349.17
IUPAC NameN,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2nc(CC(F)(F)F)no2)C(C)(C)C1
InChIInChI=1S/C14H22F3N5O2/c1-13(2)9-21(12(23)20(3)4)5-6-22(13)8-11-18-10(19-24-11)7-14(15,16)17/h5-9H2,1-4H3
InChIKeyHMMHOXPQINTPRE-UHFFFAOYSA-N
XLogP1.75
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide (CID 136521143) is N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide is CN(C)C(=O)N1CCN(Cc2nc(CC(F)(F)F)no2)C(C)(C)C1.
What is the InChIKey of N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide?
The InChIKey is HMMHOXPQINTPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O2/c1-13(2)9-21(12(23)20(3)4)5-6-22(13)8-11-18-10(19-24-11)7-14(15,16)17/h5-9H2,1-4H3.
What are the key properties of N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide?
N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 136521143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).