3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one

C10H11F3N4O2 — CID 56860108

IUPAC3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-2-14-8(16-7)15-3-4-17-5-6-19-9(17)18/h1-2H,3-6H2,(H,14,15,16)
InChIKeyGDTHHCDWWUKNPY-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.36
Rot. Bonds4

About 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 56860108) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID56860108
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-2-14-8(16-7)15-3-4-17-5-6-19-9(17)18/h1-2H,3-6H2,(H,14,15,16)
InChIKeyGDTHHCDWWUKNPY-UHFFFAOYSA-N
XLogP1.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one (CID 56860108) is 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is GDTHHCDWWUKNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-2-14-8(16-7)15-3-4-17-5-6-19-9(17)18/h1-2H,3-6H2,(H,14,15,16).
What are the key properties of 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 276.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56860108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).