5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C24H27F3N2O4 — CID 67940442

IUPAC5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(CCN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1
InChIInChI=1S/C24H27F3N2O4/c1-32-20-7-5-19(6-8-20)29-16-21(33-22(29)30)9-12-28-13-10-23(31,11-14-28)17-3-2-4-18(15-17)24(25,26)27/h2-8,15,21,31H,9-14,16H2,1H3
InChIKeyVICWDGWFFGPGOF-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.41
Rot. Bonds6

About 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 67940442) has the molecular formula C24H27F3N2O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID67940442
Molecular FormulaC24H27F3N2O4
Molecular Weight464.48 g/mol
Exact Mass464.19
IUPAC Name5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(CCN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1
InChIInChI=1S/C24H27F3N2O4/c1-32-20-7-5-19(6-8-20)29-16-21(33-22(29)30)9-12-28-13-10-23(31,11-14-28)17-3-2-4-18(15-17)24(25,26)27/h2-8,15,21,31H,9-14,16H2,1H3
InChIKeyVICWDGWFFGPGOF-UHFFFAOYSA-N
XLogP4.41
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 67940442) is 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2CC(CCN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1.
What is the InChIKey of 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is VICWDGWFFGPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O4/c1-32-20-7-5-19(6-8-20)29-16-21(33-22(29)30)9-12-28-13-10-23(31,11-14-28)17-3-2-4-18(15-17)24(25,26)27/h2-8,15,21,31H,9-14,16H2,1H3.
What are the key properties of 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 464.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67940442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).