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

C15H18F3N5O4 — CID 110396059

IUPAC2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCc1nnc(C(=O)N2CCN(C(=O)C3CCCN3C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C15H18F3N5O4/c1-9-19-20-11(27-9)13(25)22-7-5-21(6-8-22)12(24)10-3-2-4-23(10)14(26)15(16,17)18/h10H,2-8H2,1H3
InChIKeyMZEGQEJXFNJFKO-UHFFFAOYSA-N
MW389.33 g/mol
LogP0.22
Rot. Bonds2

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

2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 110396059) has the molecular formula C15H18F3N5O4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID110396059
Molecular FormulaC15H18F3N5O4
Molecular Weight389.33 g/mol
Exact Mass389.13
IUPAC Name2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCc1nnc(C(=O)N2CCN(C(=O)C3CCCN3C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C15H18F3N5O4/c1-9-19-20-11(27-9)13(25)22-7-5-21(6-8-22)12(24)10-3-2-4-23(10)14(26)15(16,17)18/h10H,2-8H2,1H3
InChIKeyMZEGQEJXFNJFKO-UHFFFAOYSA-N
XLogP0.22
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 50.22
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-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 110396059) is 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)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-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is Cc1nnc(C(=O)N2CCN(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-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is MZEGQEJXFNJFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O4/c1-9-19-20-11(27-9)13(25)22-7-5-21(6-8-22)12(24)10-3-2-4-23(10)14(26)15(16,17)18/h10H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 389.33 g/mol, XLogP of 0.22, 2 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-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110396059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).