2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

C15H20F3N5O3 — CID 110395602

IUPAC2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCc1nnc(CN2CCN(C(=O)C3CCCN3C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C15H20F3N5O3/c1-10-19-20-12(26-10)9-21-5-7-22(8-6-21)13(24)11-3-2-4-23(11)14(25)15(16,17)18/h11H,2-9H2,1H3
InChIKeyUYEAKDYJRHMJHY-UHFFFAOYSA-N
MW375.35 g/mol
LogP0.58
Rot. Bonds3

About 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 110395602) has the molecular formula C15H20F3N5O3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID110395602
Molecular FormulaC15H20F3N5O3
Molecular Weight375.35 g/mol
Exact Mass375.15
IUPAC Name2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCc1nnc(CN2CCN(C(=O)C3CCCN3C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C15H20F3N5O3/c1-10-19-20-12(26-10)9-21-5-7-22(8-6-21)13(24)11-3-2-4-23(11)14(25)15(16,17)18/h11H,2-9H2,1H3
InChIKeyUYEAKDYJRHMJHY-UHFFFAOYSA-N
XLogP0.58
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 110395602) is 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is Cc1nnc(CN2CCN(C(=O)C3CCCN3C(=O)C(F)(F)F)CC2)o1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is UYEAKDYJRHMJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O3/c1-10-19-20-12(26-10)9-21-5-7-22(8-6-21)13(24)11-3-2-4-23(11)14(25)15(16,17)18/h11H,2-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 375.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110395602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).