5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

C22H24ClFN2O2 — CID 23029359

IUPAC5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)CN1c1ccccc1
InChIInChI=1S/C22H24ClFN2O2/c23-21-7-6-18(24)13-17(21)12-16-8-10-25(11-9-16)14-20-15-26(22(27)28-20)19-4-2-1-3-5-19/h1-7,13,16,20H,8-12,14-15H2
InChIKeyJSOVUDGECJWOEP-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.76
Rot. Bonds5

About 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 23029359) has the molecular formula C22H24ClFN2O2 and a molecular weight of 402.90 g/mol. Its IUPAC name is 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID23029359
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.90 g/mol
Exact Mass402.15
IUPAC Name5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)CN1c1ccccc1
InChIInChI=1S/C22H24ClFN2O2/c23-21-7-6-18(24)13-17(21)12-16-8-10-25(11-9-16)14-20-15-26(22(27)28-20)19-4-2-1-3-5-19/h1-7,13,16,20H,8-12,14-15H2
InChIKeyJSOVUDGECJWOEP-UHFFFAOYSA-N
XLogP4.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-fluoroethyl 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 137652513
(1-methylpiperidin-3-yl) N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate
CID 155520267
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[[2-chloro-6-(morpholin-4-yl)phenyl]methyl]piperazine-1-carboxylate
CID 71657395
US10030020, Example 79
CID 132114538
US10030020, Example 110
CID 132114574
US10030020, Example 80
CID 132114712
US10030020, Example 77
CID 132114909
US10030020, Example 111
CID 132114927
2-Oxazolidinone, 3-(4'-chloro(1,1'-biphenyl)-4-yl)-5-(methoxymethyl)-
CID 3061368
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-chlorophenyl)ethyl)phenyl)-
CID 3069252
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-4-methylene-3-phenyl-
CID 3077248
(6S)-9-[(2-chlorophenyl)methyl]-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529096

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 23029359) is 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1OC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)CN1c1ccccc1.
What is the InChIKey of 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JSOVUDGECJWOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O2/c23-21-7-6-18(24)13-17(21)12-16-8-10-25(11-9-16)14-20-15-26(22(27)28-20)19-4-2-1-3-5-19/h1-7,13,16,20H,8-12,14-15H2.
What are the key properties of 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 402.90 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23029359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).