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

C16H15F3N4O2 — CID 130285255

IUPAC3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1nccc(N2CCOC2=O)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-10(11-4-2-3-5-12(11)16(17,18)19)21-14-20-7-6-13(22-14)23-8-9-25-15(23)24/h2-7,10H,8-9H2,1H3,(H,20,21,22)/t10-/m1/s1
InChIKeyXSHHCUNTHNDYJC-SNVBAGLBSA-N
MW352.32 g/mol
LogP3.63
Rot. Bonds4

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

3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 130285255) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID130285255
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1nccc(N2CCOC2=O)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c1-10(11-4-2-3-5-12(11)16(17,18)19)21-14-20-7-6-13(22-14)23-8-9-25-15(23)24/h2-7,10H,8-9H2,1H3,(H,20,21,22)/t10-/m1/s1
InChIKeyXSHHCUNTHNDYJC-SNVBAGLBSA-N
XLogP3.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 130285255) is 3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@@H](Nc1nccc(N2CCOC2=O)n1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is XSHHCUNTHNDYJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-10(11-4-2-3-5-12(11)16(17,18)19)21-14-20-7-6-13(22-14)23-8-9-25-15(23)24/h2-7,10H,8-9H2,1H3,(H,20,21,22)/t10-/m1/s1.
What are the key properties of 3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 352.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130285255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).