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

C19H23F3N4O4 — CID 56706429

IUPACN-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCN1CCOC1=O
InChIInChI=1S/C19H23F3N4O4/c20-19(21,22)14-4-2-1-3-13(14)12-26-8-6-24-17(28)15(26)11-16(27)23-5-7-25-9-10-30-18(25)29/h1-4,15H,5-12H2,(H,23,27)(H,24,28)
InChIKeyHPRDRQHARASFHQ-UHFFFAOYSA-N
MW428.41 g/mol
LogP0.96
Rot. Bonds7

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

N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 56706429) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID56706429
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC NameN-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCN1CCOC1=O
InChIInChI=1S/C19H23F3N4O4/c20-19(21,22)14-4-2-1-3-13(14)12-26-8-6-24-17(28)15(26)11-16(27)23-5-7-25-9-10-30-18(25)29/h1-4,15H,5-12H2,(H,23,27)(H,24,28)
InChIKeyHPRDRQHARASFHQ-UHFFFAOYSA-N
XLogP0.96
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 45222826
N-(3-methoxypropyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45194109
N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 42596179
N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56885196
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381
N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45208008
N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56903638
N-[2-(diethylamino)ethyl]-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 51901313
N-(3-hydroxypropyl)-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95711384
N-(3-cyclopentylpropyl)-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819391
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 126433486
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 56706429) is N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCN1CCOC1=O.
What is the InChIKey of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is HPRDRQHARASFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O4/c20-19(21,22)14-4-2-1-3-13(14)12-26-8-6-24-17(28)15(26)11-16(27)23-5-7-25-9-10-30-18(25)29/h1-4,15H,5-12H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 428.41 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 56706429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).