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

C24H27F3N2O3 — CID 67940457

IUPAC5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CCN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)c1
InChIInChI=1S/C24H27F3N2O3/c1-17-4-2-7-20(14-17)29-16-21(32-22(29)30)8-11-28-12-9-23(31,10-13-28)18-5-3-6-19(15-18)24(25,26)27/h2-7,14-15,21,31H,8-13,16H2,1H3
InChIKeyIGCKYSQDNWKDFZ-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.71
Rot. Bonds5

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

5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 67940457) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID67940457
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(N2CC(CCN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)c1
InChIInChI=1S/C24H27F3N2O3/c1-17-4-2-7-20(14-17)29-16-21(32-22(29)30)8-11-28-12-9-23(31,10-13-28)18-5-3-6-19(15-18)24(25,26)27/h2-7,14-15,21,31H,8-13,16H2,1H3
InChIKeyIGCKYSQDNWKDFZ-UHFFFAOYSA-N
XLogP4.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propionanilide, N-(1-(4-hydroxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperidino)-2-propyl)-, hydrochloride
CID 380231
N-[[(5S)-3-[3-fluoro-4-[3-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57545489
Propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59493107
(5R)-3-[3-fluoro-4-[3-(hydroxymethyl)phenyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168283950
Ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59493060
N-(2-(4-Hydroxy-4-(3-(trifluoromethyl)phenyl)-1-piperidinyl)-1-methylethyl)-N-phenylpropanamide hydrochloride
CID 380232
1-[5-[2-[4-(4-Fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
CID 16676485
Tert-butyl 2-ethyl-4-hydroxy-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 11198754
Tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-2-ethyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxylate
CID 11505001
tert-butyl (2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-2-ethyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxylate
CID 11628250
3-(4-Fluorophenyl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 14368956
5-[(4-Hydroxy-4-phenylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 14368958

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 67940457) is 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc(N2CC(CCN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)c1.
What is the InChIKey of 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is IGCKYSQDNWKDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-17-4-2-7-20(14-17)29-16-21(32-22(29)30)8-11-28-12-9-23(31,10-13-28)18-5-3-6-19(15-18)24(25,26)27/h2-7,14-15,21,31H,8-13,16H2,1H3.
What are the key properties of 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 448.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67940457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).