2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide

C16H15F3N4O3 — CID 167886133

IUPAC2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide
SMILESO=C(CN1CCNCC1=O)Nc1ccc(-c2cc(C(F)(F)F)on2)cc1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)13-7-12(22-26-13)10-1-3-11(4-2-10)21-14(24)9-23-6-5-20-8-15(23)25/h1-4,7,20H,5-6,8-9H2,(H,21,24)
InChIKeyZNAQMPVFZXKFTG-UHFFFAOYSA-N
MW368.32 g/mol
LogP1.73
Rot. Bonds4

About 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide

2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide (PubChem CID 167886133) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide
PubChem CID167886133
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC Name2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide
SMILESO=C(CN1CCNCC1=O)Nc1ccc(-c2cc(C(F)(F)F)on2)cc1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)13-7-12(22-26-13)10-1-3-11(4-2-10)21-14(24)9-23-6-5-20-8-15(23)25/h1-4,7,20H,5-6,8-9H2,(H,21,24)
InChIKeyZNAQMPVFZXKFTG-UHFFFAOYSA-N
XLogP1.73
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 167861308
5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075296
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62311797
N-(2-methylcyclopropyl)-2-(2-oxopiperazin-1-yl)acetamide
CID 119732239
N-(6-formyl-1,3-benzothiazol-2-yl)-2-(2-oxopiperazin-1-yl)acetamide
CID 174151523
N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide
CID 16674977
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063668
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 167787666
2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110860875
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811989

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide (CID 167886133) is 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide is O=C(CN1CCNCC1=O)Nc1ccc(-c2cc(C(F)(F)F)on2)cc1.
What is the InChIKey of 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide?
The InChIKey is ZNAQMPVFZXKFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c17-16(18,19)13-7-12(22-26-13)10-1-3-11(4-2-10)21-14(24)9-23-6-5-20-8-15(23)25/h1-4,7,20H,5-6,8-9H2,(H,21,24).
What are the key properties of 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide?
2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide has a molecular weight of 368.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 167886133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).