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

C24H28FN3O4 — CID 67694725

IUPACN-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OC2CCN(C[C@@H]3CN(c4ccc(F)cc4)C(=O)O3)CC2)cc1
InChIInChI=1S/C24H28FN3O4/c1-17(29)26(2)19-7-9-21(10-8-19)31-22-11-13-27(14-12-22)15-23-16-28(24(30)32-23)20-5-3-18(25)4-6-20/h3-10,22-23H,11-16H2,1-2H3/t23-/m1/s1
InChIKeyDZNHDLXFRJNXJP-HSZRJFAPSA-N
MW441.50 g/mol
LogP3.68
Rot. Bonds6

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

N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide (PubChem CID 67694725) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 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]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide
PubChem CID67694725
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC NameN-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OC2CCN(C[C@@H]3CN(c4ccc(F)cc4)C(=O)O3)CC2)cc1
InChIInChI=1S/C24H28FN3O4/c1-17(29)26(2)19-7-9-21(10-8-19)31-22-11-13-27(14-12-22)15-23-16-28(24(30)32-23)20-5-3-18(25)4-6-20/h3-10,22-23H,11-16H2,1-2H3/t23-/m1/s1
InChIKeyDZNHDLXFRJNXJP-HSZRJFAPSA-N
XLogP3.68
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[[(5S)-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide;hydrochloride
CID 139652790
N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
CID 54341034
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-[[(5R)-2-oxo-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
CID 56630797
[1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] tert-butyl carbonate
CID 22078367
(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
1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid
CID 19439042
5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 15158332
N-[4-[1-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]sulfanylphenyl]acetamide
CID 57143499
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
[4-[(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl] acetate
CID 15034740

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]-N-methylacetamide?
The IUPAC name of N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide (CID 67694725) is N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide.
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]-N-methylacetamide?
The canonical SMILES for N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(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]-N-methylacetamide?
The InChIKey is DZNHDLXFRJNXJP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28FN3O4/c1-17(29)26(2)19-7-9-21(10-8-19)31-22-11-13-27(14-12-22)15-23-16-28(24(30)32-23)20-5-3-18(25)4-6-20/h3-10,22-23H,11-16H2,1-2H3/t23-/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]-N-methylacetamide?
N-[4-[1-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]-N-methylacetamide has a molecular weight of 441.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 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]-N-methylacetamide is sourced from PubChem (CID 67694725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).