2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C13H16F3N5O3 — CID 119104829

IUPAC2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(CN1CCOC1=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C13H16F3N5O3/c14-13(15,16)8-1-2-9-18-19-10(21(9)6-8)5-17-11(22)7-20-3-4-24-12(20)23/h8H,1-7H2,(H,17,22)
InChIKeyRJEUVSTXAUCQGA-UHFFFAOYSA-N
MW347.30 g/mol
LogP0.47
Rot. Bonds4

About 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 119104829) has the molecular formula C13H16F3N5O3 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID119104829
Molecular FormulaC13H16F3N5O3
Molecular Weight347.30 g/mol
Exact Mass347.12
IUPAC Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(CN1CCOC1=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C13H16F3N5O3/c14-13(15,16)8-1-2-9-18-19-10(21(9)6-8)5-17-11(22)7-20-3-4-24-12(20)23/h8H,1-7H2,(H,17,22)
InChIKeyRJEUVSTXAUCQGA-UHFFFAOYSA-N
XLogP0.47
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 119104829) is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is O=C(CN1CCOC1=O)NCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is RJEUVSTXAUCQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O3/c14-13(15,16)8-1-2-9-18-19-10(21(9)6-8)5-17-11(22)7-20-3-4-24-12(20)23/h8H,1-7H2,(H,17,22).
What are the key properties of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 347.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 119104829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).