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

C7H7F3N4O2 — CID 141077997

IUPAC5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(C(F)(F)F)nn2)O1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)5-3-14(13-12-5)2-4-1-11-6(15)16-4/h3-4H,1-2H2,(H,11,15)
InChIKeyXZKYBAMMUXQDLW-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.41
Rot. Bonds2

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

5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 141077997) has the molecular formula C7H7F3N4O2 and a molecular weight of 236.15 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID141077997
Molecular FormulaC7H7F3N4O2
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Name5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(C(F)(F)F)nn2)O1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)5-3-14(13-12-5)2-4-1-11-6(15)16-4/h3-4H,1-2H2,(H,11,15)
InChIKeyXZKYBAMMUXQDLW-UHFFFAOYSA-N
XLogP0.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(Fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 58840986
5-[(4-Fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078029
5-[[4-(2,2,2-Trifluoroacetyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62580534
(5R)-3-methyl-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 57588285
5-[[4-(Aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62055901
5-[[4-(Hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62401843
(5R)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141075048
5-[(4-Methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141077356
5-[[4-(2-Bromoethynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 141078002
5-[(4-Prop-2-ynyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078004
5-[[4-(3-Hydroxyprop-1-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 141078009
methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate
CID 141078010

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 141077997) is 5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(C(F)(F)F)nn2)O1.
What is the InChIKey of 5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XZKYBAMMUXQDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2/c8-7(9,10)5-3-14(13-12-5)2-4-1-11-6(15)16-4/h3-4H,1-2H2,(H,11,15).
What are the key properties of 5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 236.15 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141077997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).