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

C23H24ClF3N2O4 — CID 15034723

IUPAC(5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)OC2=O)cc1
InChIInChI=1S/C23H24ClF3N2O4/c1-32-17-5-3-16(4-6-17)29-14-18(33-21(29)30)13-28-10-8-22(31,9-11-28)15-2-7-20(24)19(12-15)23(25,26)27/h2-7,12,18,31H,8-11,13-14H2,1H3/t18-/m0/s1
InChIKeyUWERSZSISRYZKK-SFHVURJKSA-N
MW484.90 g/mol
LogP4.68
Rot. Bonds5

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

(5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 15034723) has the molecular formula C23H24ClF3N2O4 and a molecular weight of 484.90 g/mol. Its IUPAC name is (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID15034723
Molecular FormulaC23H24ClF3N2O4
Molecular Weight484.90 g/mol
Exact Mass484.14
IUPAC Name(5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)OC2=O)cc1
InChIInChI=1S/C23H24ClF3N2O4/c1-32-17-5-3-16(4-6-17)29-14-18(33-21(29)30)13-28-10-8-22(31,9-11-28)15-2-7-20(24)19(12-15)23(25,26)27/h2-7,12,18,31H,8-11,13-14H2,1H3/t18-/m0/s1
InChIKeyUWERSZSISRYZKK-SFHVURJKSA-N
XLogP4.68
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.90
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)butyl]piperidin-4-ol
CID 145986752
[1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67282602
(5S)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 14368937
(5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 14368954
(5S)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 14368960
(5S)-5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 15034722
(5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 15034724
(5R)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 44291865
(5R)-5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 44292277
(5R)-5-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 44292278
(5R)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 44292312
5-[[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 14368970

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 15034723) is (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)OC2=O)cc1.
What is the InChIKey of (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UWERSZSISRYZKK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24ClF3N2O4/c1-32-17-5-3-16(4-6-17)29-14-18(33-21(29)30)13-28-10-8-22(31,9-11-28)15-2-7-20(24)19(12-15)23(25,26)27/h2-7,12,18,31H,8-11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 484.90 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15034723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).