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

C22H22ClF3N2O3 — CID 14368970

IUPAC5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(O)(c3ccc(Cl)cc3)CC2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22ClF3N2O3/c23-17-6-4-15(5-7-17)21(30)8-10-27(11-9-21)13-19-14-28(20(29)31-19)18-3-1-2-16(12-18)22(24,25)26/h1-7,12,19,30H,8-11,13-14H2
InChIKeyNQMUXTHYBBGSRC-UHFFFAOYSA-N
MW454.88 g/mol
LogP4.67
Rot. Bonds4

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

5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 14368970) has the molecular formula C22H22ClF3N2O3 and a molecular weight of 454.88 g/mol. Its IUPAC name is 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID14368970
Molecular FormulaC22H22ClF3N2O3
Molecular Weight454.88 g/mol
Exact Mass454.13
IUPAC Name5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(O)(c3ccc(Cl)cc3)CC2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22ClF3N2O3/c23-17-6-4-15(5-7-17)21(30)8-10-27(11-9-21)13-19-14-28(20(29)31-19)18-3-1-2-16(12-18)22(24,25)26/h1-7,12,19,30H,8-11,13-14H2
InChIKeyNQMUXTHYBBGSRC-UHFFFAOYSA-N
XLogP4.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.88
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 14368970) is 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1OC(CN2CCC(O)(c3ccc(Cl)cc3)CC2)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NQMUXTHYBBGSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N2O3/c23-17-6-4-15(5-7-17)21(30)8-10-27(11-9-21)13-19-14-28(20(29)31-19)18-3-1-2-16(12-18)22(24,25)26/h1-7,12,19,30H,8-11,13-14H2.
What are the key properties of 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 454.88 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).