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

C22H23F3N2O3 — CID 14368958

IUPAC5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(O)(c3ccccc3)CC2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)17-7-4-8-18(13-17)27-15-19(30-20(27)28)14-26-11-9-21(29,10-12-26)16-5-2-1-3-6-16/h1-8,13,19,29H,9-12,14-15H2
InChIKeyBBXVSMSNPOAELL-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.01
Rot. Bonds4

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

5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 14368958) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID14368958
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(O)(c3ccccc3)CC2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)17-7-4-8-18(13-17)27-15-19(30-20(27)28)14-26-11-9-21(29,10-12-26)16-5-2-1-3-6-16/h1-8,13,19,29H,9-12,14-15H2
InChIKeyBBXVSMSNPOAELL-UHFFFAOYSA-N
XLogP4.01
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.01
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-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 14368958) is 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1OC(CN2CCC(O)(c3ccccc3)CC2)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is BBXVSMSNPOAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)17-7-4-8-18(13-17)27-15-19(30-20(27)28)14-26-11-9-21(29,10-12-26)16-5-2-1-3-6-16/h1-8,13,19,29H,9-12,14-15H2.
What are the key properties of 5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 420.43 g/mol, XLogP of 4.01, 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-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).