5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid

C9H8F2N4O5 — CID 102644660

IUPAC5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(CC(=O)N2CCOC2=O)c1C(F)F
InChIInChI=1S/C9H8F2N4O5/c10-7(11)6-5(8(17)18)12-13-15(6)3-4(16)14-1-2-20-9(14)19/h7H,1-3H2,(H,17,18)
InChIKeyDRTMECIISCFHIL-UHFFFAOYSA-N
MW290.18 g/mol
LogP-0.11
Rot. Bonds4

About 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid

5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 102644660) has the molecular formula C9H8F2N4O5 and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid
PubChem CID102644660
Molecular FormulaC9H8F2N4O5
Molecular Weight290.18 g/mol
Exact Mass290.05
IUPAC Name5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(CC(=O)N2CCOC2=O)c1C(F)F
InChIInChI=1S/C9H8F2N4O5/c10-7(11)6-5(8(17)18)12-13-15(6)3-4(16)14-1-2-20-9(14)19/h7H,1-3H2,(H,17,18)
InChIKeyDRTMECIISCFHIL-UHFFFAOYSA-N
XLogP-0.11
TPSA114.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid (CID 102644660) is 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid is O=C(O)c1nnn(CC(=O)N2CCOC2=O)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is DRTMECIISCFHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O5/c10-7(11)6-5(8(17)18)12-13-15(6)3-4(16)14-1-2-20-9(14)19/h7H,1-3H2,(H,17,18).
What are the key properties of 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid?
5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 290.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 102644660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).