4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

C21H15F3N4O4 — CID 118195282

IUPAC4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOC2=O)c(-c2cncnc2)c1
InChIInChI=1S/C21H15F3N4O4/c22-21(23,24)32-16-4-2-15(3-5-16)27-19(29)13-1-6-18(28-7-8-31-20(28)30)17(9-13)14-10-25-12-26-11-14/h1-6,9-12H,7-8H2,(H,27,29)
InChIKeyNARIGYXGKFFQKD-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.25
Rot. Bonds5

About 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 118195282) has the molecular formula C21H15F3N4O4 and a molecular weight of 444.37 g/mol. Its IUPAC name is 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID118195282
Molecular FormulaC21H15F3N4O4
Molecular Weight444.37 g/mol
Exact Mass444.10
IUPAC Name4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOC2=O)c(-c2cncnc2)c1
InChIInChI=1S/C21H15F3N4O4/c22-21(23,24)32-16-4-2-15(3-5-16)27-19(29)13-1-6-18(28-7-8-31-20(28)30)17(9-13)14-10-25-12-26-11-14/h1-6,9-12H,7-8H2,(H,27,29)
InChIKeyNARIGYXGKFFQKD-UHFFFAOYSA-N
XLogP4.25
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 118195282) is 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOC2=O)c(-c2cncnc2)c1.
What is the InChIKey of 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is NARIGYXGKFFQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O4/c22-21(23,24)32-16-4-2-15(3-5-16)27-19(29)13-1-6-18(28-7-8-31-20(28)30)17(9-13)14-10-25-12-26-11-14/h1-6,9-12H,7-8H2,(H,27,29).
What are the key properties of 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 444.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 118195282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).