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

C23H25F3N2O3 — CID 14368972

IUPAC5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)c1
InChIInChI=1S/C23H25F3N2O3/c1-16-4-2-7-19(12-16)28-15-20(31-21(28)29)14-27-10-8-22(30,9-11-27)17-5-3-6-18(13-17)23(24,25)26/h2-7,12-13,20,30H,8-11,14-15H2,1H3
InChIKeyMODVYBHONHAECH-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.32
Rot. Bonds4

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

5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 14368972) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID14368972
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)c1
InChIInChI=1S/C23H25F3N2O3/c1-16-4-2-7-19(12-16)28-15-20(31-21(28)29)14-27-10-8-22(30,9-11-27)17-5-3-6-18(13-17)23(24,25)26/h2-7,12-13,20,30H,8-11,14-15H2,1H3
InChIKeyMODVYBHONHAECH-UHFFFAOYSA-N
XLogP4.32
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 14368972) is 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc(N2CC(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)c1.
What is the InChIKey of 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is MODVYBHONHAECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-16-4-2-7-19(12-16)28-15-20(31-21(28)29)14-27-10-8-22(30,9-11-27)17-5-3-6-18(13-17)23(24,25)26/h2-7,12-13,20,30H,8-11,14-15H2,1H3.
What are the key properties of 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 434.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).