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

C13H8F5N3O3 — CID 137352844

IUPAC2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1Cc1ccc(-c2noc(C(F)(F)F)n2)c(F)c1F
InChIInChI=1S/C13H8F5N3O3/c14-9-6(5-21-8(22)3-4-23-21)1-2-7(10(9)15)11-19-12(24-20-11)13(16,17)18/h1-2H,3-5H2
InChIKeyUGGQARKXWNTLOY-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.70
Rot. Bonds3

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

2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one (PubChem CID 137352844) has the molecular formula C13H8F5N3O3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one
PubChem CID137352844
Molecular FormulaC13H8F5N3O3
Molecular Weight349.22 g/mol
Exact Mass349.05
IUPAC Name2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1Cc1ccc(-c2noc(C(F)(F)F)n2)c(F)c1F
InChIInChI=1S/C13H8F5N3O3/c14-9-6(5-21-8(22)3-4-23-21)1-2-7(10(9)15)11-19-12(24-20-11)13(16,17)18/h1-2H,3-5H2
InChIKeyUGGQARKXWNTLOY-UHFFFAOYSA-N
XLogP2.70
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one with MolForge

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Related Compounds

2-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxazinan-3-one
CID 160920154
2-[[3-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 137352705
N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxypropanethioamide
CID 151236696
1-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidin-2-one
CID 155193010
1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one
CID 129188276
[2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol
CID 175183546
3-[[3-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-4-pyrrolidin-1-ylcyclobut-3-ene-1,2-dione
CID 159219757
1-[3-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(1,2,4-triazin-3-yl)ethanone
CID 161131099
2-benzyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]isoindol-1-one
CID 134537749
2-(2-chloroethoxy)ethyl 1-[3-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-oxopyrrolidine-2-carboxylate
CID 138749162
3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139464968
4-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-2-one
CID 137358408

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one (CID 137352844) is 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one is O=C1CCON1Cc1ccc(-c2noc(C(F)(F)F)n2)c(F)c1F.
What is the InChIKey of 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one?
The InChIKey is UGGQARKXWNTLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5N3O3/c14-9-6(5-21-8(22)3-4-23-21)1-2-7(10(9)15)11-19-12(24-20-11)13(16,17)18/h1-2H,3-5H2.
What are the key properties of 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one?
2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one has a molecular weight of 349.22 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 137352844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).