3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C15H18F3N5O3 — CID 91631607

IUPAC3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1nc(N2CCN(C(=O)CN3CCOC3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O3/c1-10-19-11(15(16,17)18)8-12(20-10)21-2-4-22(5-3-21)13(24)9-23-6-7-26-14(23)25/h8H,2-7,9H2,1H3
InChIKeyHZHYCZXSWABZLB-UHFFFAOYSA-N
MW373.34 g/mol
LogP0.90
Rot. Bonds3

About 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 91631607) has the molecular formula C15H18F3N5O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID91631607
Molecular FormulaC15H18F3N5O3
Molecular Weight373.34 g/mol
Exact Mass373.14
IUPAC Name3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1nc(N2CCN(C(=O)CN3CCOC3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O3/c1-10-19-11(15(16,17)18)8-12(20-10)21-2-4-22(5-3-21)13(24)9-23-6-7-26-14(23)25/h8H,2-7,9H2,1H3
InChIKeyHZHYCZXSWABZLB-UHFFFAOYSA-N
XLogP0.90
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 91631607) is 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1nc(N2CCN(C(=O)CN3CCOC3=O)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is HZHYCZXSWABZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3/c1-10-19-11(15(16,17)18)8-12(20-10)21-2-4-22(5-3-21)13(24)9-23-6-7-26-14(23)25/h8H,2-7,9H2,1H3.
What are the key properties of 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 373.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 91631607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).