2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H22F3N5O2 — CID 30890869

IUPAC2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)c1noc(CN2CCN(CC(=O)NCC(F)(F)F)CC2)n1
InChIInChI=1S/C14H22F3N5O2/c1-10(2)13-19-12(24-20-13)8-22-5-3-21(4-6-22)7-11(23)18-9-14(15,16)17/h10H,3-9H2,1-2H3,(H,18,23)
InChIKeyPLPJVYMPXCZDJB-UHFFFAOYSA-N
MW349.36 g/mol
LogP0.99
Rot. Bonds6

About 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 30890869) has the molecular formula C14H22F3N5O2 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID30890869
Molecular FormulaC14H22F3N5O2
Molecular Weight349.36 g/mol
Exact Mass349.17
IUPAC Name2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)c1noc(CN2CCN(CC(=O)NCC(F)(F)F)CC2)n1
InChIInChI=1S/C14H22F3N5O2/c1-10(2)13-19-12(24-20-13)8-22-5-3-21(4-6-22)7-11(23)18-9-14(15,16)17/h10H,3-9H2,1-2H3,(H,18,23)
InChIKeyPLPJVYMPXCZDJB-UHFFFAOYSA-N
XLogP0.99
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 30890869) is 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)c1noc(CN2CCN(CC(=O)NCC(F)(F)F)CC2)n1.
What is the InChIKey of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PLPJVYMPXCZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O2/c1-10(2)13-19-12(24-20-13)8-22-5-3-21(4-6-22)7-11(23)18-9-14(15,16)17/h10H,3-9H2,1-2H3,(H,18,23).
What are the key properties of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 349.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 30890869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).