N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

C18H19F3N4O3 — CID 56885196

IUPACN-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1ccon1
InChIInChI=1S/C18H19F3N4O3/c19-18(20,21)14-4-2-1-3-12(14)11-25-7-6-22-17(27)15(25)9-16(26)23-10-13-5-8-28-24-13/h1-5,8,15H,6-7,9-11H2,(H,22,27)(H,23,26)
InChIKeyGLAKLGBIKOEIMM-UHFFFAOYSA-N
MW396.37 g/mol
LogP1.70
Rot. Bonds6

About N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 56885196) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID56885196
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1ccon1
InChIInChI=1S/C18H19F3N4O3/c19-18(20,21)14-4-2-1-3-12(14)11-25-7-6-22-17(27)15(25)9-16(26)23-10-13-5-8-28-24-13/h1-5,8,15H,6-7,9-11H2,(H,22,27)(H,23,26)
InChIKeyGLAKLGBIKOEIMM-UHFFFAOYSA-N
XLogP1.70
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 95723316
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56706429
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 56890384
N-(3-methoxypropyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45194109
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381
N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 42596179
N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45208008
2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95715258
N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45209913
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 126444704
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 42514577
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 56885196) is N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is GLAKLGBIKOEIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c19-18(20,21)14-4-2-1-3-12(14)11-25-7-6-22-17(27)15(25)9-16(26)23-10-13-5-8-28-24-13/h1-5,8,15H,6-7,9-11H2,(H,22,27)(H,23,26).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 56885196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).