N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

C16H16F3N5O3 — CID 56917114

IUPACN-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESO=C(NCCN1CCOC1=O)c1cn(Cc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H16F3N5O3/c17-16(18,19)12-4-2-1-3-11(12)9-24-10-13(21-22-24)14(25)20-5-6-23-7-8-27-15(23)26/h1-4,10H,5-9H2,(H,20,25)
InChIKeyDNJWDSRSFQYJDX-UHFFFAOYSA-N
MW383.33 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 56917114) has the molecular formula C16H16F3N5O3 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID56917114
Molecular FormulaC16H16F3N5O3
Molecular Weight383.33 g/mol
Exact Mass383.12
IUPAC NameN-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESO=C(NCCN1CCOC1=O)c1cn(Cc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H16F3N5O3/c17-16(18,19)12-4-2-1-3-11(12)9-24-10-13(21-22-24)14(25)20-5-6-23-7-8-27-15(23)26/h1-4,10H,5-9H2,(H,20,25)
InChIKeyDNJWDSRSFQYJDX-UHFFFAOYSA-N
XLogP1.53
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-Phenyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 648177
1-(2-Fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 649632
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
ethyl (4R)-2-phenyl-3-[1-[3-[(2,2,2-trifluoroacetyl)amino]propyl]triazole-4-carbonyl]-1,3-thiazolidine-4-carboxylate
CID 44448881
Ethyl 5-phenyl-1-[1-[3-[(2,2,2-trifluoroacetyl)amino]propyl]triazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 164614683
US10344025, Example 7
CID 118627347
US10344025, Example 121
CID 118640338
US10344025, Example 119
CID 118640553
US10344025, Example 120
CID 118640554
US10344025, Example 165
CID 118640565
US10344025, Example 166
CID 118646480
1-[1-(2-Fluoro-phenyl)-ethyl]-1H-[1,2,3]triazole-4-carboxylic acid (2-methoxy-ethyl)-amide
CID 3230990

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (CID 56917114) is N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is O=C(NCCN1CCOC1=O)c1cn(Cc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is DNJWDSRSFQYJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O3/c17-16(18,19)12-4-2-1-3-11(12)9-24-10-13(21-22-24)14(25)20-5-6-23-7-8-27-15(23)26/h1-4,10H,5-9H2,(H,20,25).
What are the key properties of N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 383.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 56917114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).