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

C23H25F3N2O4 — CID 14368973

IUPAC5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1
InChIInChI=1S/C23H25F3N2O4/c1-31-19-7-5-18(6-8-19)28-15-20(32-21(28)29)14-27-11-9-22(30,10-12-27)16-3-2-4-17(13-16)23(24,25)26/h2-8,13,20,30H,9-12,14-15H2,1H3
InChIKeyUKRCGKXBNYQVIQ-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.02
Rot. Bonds5

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

5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 14368973) has the molecular formula C23H25F3N2O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID14368973
Molecular FormulaC23H25F3N2O4
Molecular Weight450.46 g/mol
Exact Mass450.18
IUPAC Name5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2CC(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1
InChIInChI=1S/C23H25F3N2O4/c1-31-19-7-5-18(6-8-19)28-15-20(32-21(28)29)14-27-11-9-22(30,10-12-27)16-3-2-4-17(13-16)23(24,25)26/h2-8,13,20,30H,9-12,14-15H2,1H3
InChIKeyUKRCGKXBNYQVIQ-UHFFFAOYSA-N
XLogP4.02
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 14368973) is 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2CC(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1.
What is the InChIKey of 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UKRCGKXBNYQVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4/c1-31-19-7-5-18(6-8-19)28-15-20(32-21(28)29)14-27-11-9-22(30,10-12-27)16-3-2-4-17(13-16)23(24,25)26/h2-8,13,20,30H,9-12,14-15H2,1H3.
What are the key properties of 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 450.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).