2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

C15H18F3N5O3 — CID 91631395

IUPAC2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(CN1CCOC1=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H18F3N5O3/c16-15(17,18)11-7-12(20-9-19-11)22-3-1-10(2-4-22)21-13(24)8-23-5-6-26-14(23)25/h7,9-10H,1-6,8H2,(H,21,24)
InChIKeyMBIZEACODOYTEP-UHFFFAOYSA-N
MW373.34 g/mol
LogP1.03
Rot. Bonds4

About 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91631395) has the molecular formula C15H18F3N5O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91631395
Molecular FormulaC15H18F3N5O3
Molecular Weight373.34 g/mol
Exact Mass373.14
IUPAC Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(CN1CCOC1=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H18F3N5O3/c16-15(17,18)11-7-12(20-9-19-11)22-3-1-10(2-4-22)21-13(24)8-23-5-6-26-14(23)25/h7,9-10H,1-6,8H2,(H,21,24)
InChIKeyMBIZEACODOYTEP-UHFFFAOYSA-N
XLogP1.03
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91631395) is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is O=C(CN1CCOC1=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is MBIZEACODOYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3/c16-15(17,18)11-7-12(20-9-19-11)22-3-1-10(2-4-22)21-13(24)8-23-5-6-26-14(23)25/h7,9-10H,1-6,8H2,(H,21,24).
What are the key properties of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 373.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91631395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).