4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one

C22H17F3N2O3 — CID 69053361

IUPAC4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCC1C(c2cccnc2)OC(=O)N1c1ccc(-c2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O3/c1-14-20(16-8-5-11-26-13-16)29-21(28)27(14)17-9-10-18(15-6-3-2-4-7-15)19(12-17)30-22(23,24)25/h2-14,20H,1H3
InChIKeySZKFCTXOIFJSKY-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.73
Rot. Bonds4

About 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one

4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 69053361) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID69053361
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC Name4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCC1C(c2cccnc2)OC(=O)N1c1ccc(-c2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C22H17F3N2O3/c1-14-20(16-8-5-11-26-13-16)29-21(28)27(14)17-9-10-18(15-6-3-2-4-7-15)19(12-17)30-22(23,24)25/h2-14,20H,1H3
InChIKeySZKFCTXOIFJSKY-UHFFFAOYSA-N
XLogP5.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one (CID 69053361) is 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one is CC1C(c2cccnc2)OC(=O)N1c1ccc(-c2ccccc2)c(OC(F)(F)F)c1.
What is the InChIKey of 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is SZKFCTXOIFJSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c1-14-20(16-8-5-11-26-13-16)29-21(28)27(14)17-9-10-18(15-6-3-2-4-7-15)19(12-17)30-22(23,24)25/h2-14,20H,1H3.
What are the key properties of 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 414.38 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-phenyl-3-(trifluoromethoxy)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69053361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).