5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C8H7F3N4O3 — CID 62580534

IUPAC5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(C(=O)C(F)(F)F)nn2)O1
InChIInChI=1S/C8H7F3N4O3/c9-8(10,11)6(16)5-3-15(14-13-5)2-4-1-12-7(17)18-4/h3-4H,1-2H2,(H,12,17)
InChIKeyADONDDYIFFPNIX-UHFFFAOYSA-N
MW264.16 g/mol
LogP0.13
Rot. Bonds3

About 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 62580534) has the molecular formula C8H7F3N4O3 and a molecular weight of 264.16 g/mol. Its IUPAC name is 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID62580534
Molecular FormulaC8H7F3N4O3
Molecular Weight264.16 g/mol
Exact Mass264.05
IUPAC Name5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(C(=O)C(F)(F)F)nn2)O1
InChIInChI=1S/C8H7F3N4O3/c9-8(10,11)6(16)5-3-15(14-13-5)2-4-1-12-7(17)18-4/h3-4H,1-2H2,(H,12,17)
InChIKeyADONDDYIFFPNIX-UHFFFAOYSA-N
XLogP0.13
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 62580534) is 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(C(=O)C(F)(F)F)nn2)O1.
What is the InChIKey of 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ADONDDYIFFPNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O3/c9-8(10,11)6(16)5-3-15(14-13-5)2-4-1-12-7(17)18-4/h3-4H,1-2H2,(H,12,17).
What are the key properties of 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 264.16 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62580534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).