N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide

C23H26FN3O4 — CID 54341034

IUPACN-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(OC2CCN(C[C@@H]3CN(c4ccc(F)cc4)C(=O)O3)CC2)cc1
InChIInChI=1S/C23H26FN3O4/c1-16(28)25-18-4-8-20(9-5-18)30-21-10-12-26(13-11-21)14-22-15-27(23(29)31-22)19-6-2-17(24)3-7-19/h2-9,21-22H,10-15H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyTYYRZZKSSBIYTK-JOCHJYFZSA-N
MW427.48 g/mol
LogP3.65
Rot. Bonds6

About N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide

N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide (PubChem CID 54341034) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
PubChem CID54341034
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC NameN-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(OC2CCN(C[C@@H]3CN(c4ccc(F)cc4)C(=O)O3)CC2)cc1
InChIInChI=1S/C23H26FN3O4/c1-16(28)25-18-4-8-20(9-5-18)30-21-10-12-26(13-11-21)14-22-15-27(23(29)31-22)19-6-2-17(24)3-7-19/h2-9,21-22H,10-15H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyTYYRZZKSSBIYTK-JOCHJYFZSA-N
XLogP3.65
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[[(5R)-2-oxo-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
CID 56630797
N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide
CID 67694725
N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-2-methylpropanamide
CID 54016016
N-[4-[1-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]sulfanylphenyl]acetamide
CID 57143499
N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride
CID 139652790
[1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] tert-butyl carbonate
CID 22078367
4-[[3-(4-acetamidophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoic acid
CID 18997196
(5S)-3-(4-fluorophenyl)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;(5S)-5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 158131550
3-(4-methoxyphenyl)-5-[3-(4-phenoxypiperidin-1-yl)propyl]-1,3-oxazolidin-2-one
CID 19420859
5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 15158332
N-[[3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21158002
N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 638803

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide (CID 54341034) is N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(OC2CCN(C[C@@H]3CN(c4ccc(F)cc4)C(=O)O3)CC2)cc1.
What is the InChIKey of N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide?
The InChIKey is TYYRZZKSSBIYTK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-16(28)25-18-4-8-20(9-5-18)30-21-10-12-26(13-11-21)14-22-15-27(23(29)31-22)19-6-2-17(24)3-7-19/h2-9,21-22H,10-15H2,1H3,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide?
N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide has a molecular weight of 427.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 54341034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).