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

C16H15F3N4O2 — CID 130285907

IUPAC3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1nccc(N2CCOC2=O)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O2/c1-10(11-3-2-4-12(9-11)16(17,18)19)21-14-20-6-5-13(22-14)23-7-8-25-15(23)24/h2-6,9-10H,7-8H2,1H3,(H,20,21,22)/t10-/m1/s1
InChIKeyCZCVCNDWWAQEMF-SNVBAGLBSA-N
MW352.32 g/mol
LogP3.63
Rot. Bonds4

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

3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 130285907) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID130285907
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1nccc(N2CCOC2=O)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O2/c1-10(11-3-2-4-12(9-11)16(17,18)19)21-14-20-6-5-13(22-14)23-7-8-25-15(23)24/h2-6,9-10H,7-8H2,1H3,(H,20,21,22)/t10-/m1/s1
InChIKeyCZCVCNDWWAQEMF-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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Related Compounds

3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
3-[2-[[(1S)-1-(4-tert-butylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285288
3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285255
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433
3-[2-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285088
4-[1-[4-[(1S)-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]propyl]piperazine-1-carboxylic acid
CID 139507676
2-[1-[2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 59924940
3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285405
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490063
3-[2-[[(1S)-1-[5-(3-chloro-4-fluorophenoxy)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284695
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90416054
3-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343304

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 130285907) is 3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@@H](Nc1nccc(N2CCOC2=O)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is CZCVCNDWWAQEMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-10(11-3-2-4-12(9-11)16(17,18)19)21-14-20-6-5-13(22-14)23-7-8-25-15(23)24/h2-6,9-10H,7-8H2,1H3,(H,20,21,22)/t10-/m1/s1.
What are the key properties of 3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[2-[[(1R)-1-[3-(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-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130285907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).