N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide

C21H24FN5O3 — CID 67550647

IUPACN-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CN(c2ccc(-c3ccc(N4CCNCC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H24FN5O3/c1-14(28)25(2)20-13-27(21(29)30-20)16-4-5-17(18(22)11-16)15-3-6-19(24-12-15)26-9-7-23-8-10-26/h3-6,11-12,20,23H,7-10,13H2,1-2H3/t20-/m0/s1
InChIKeyRJZUHWYZESREPI-FQEVSTJZSA-N
MW413.45 g/mol
LogP2.06
Rot. Bonds4

About N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide

N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide (PubChem CID 67550647) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
PubChem CID67550647
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC NameN-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CN(c2ccc(-c3ccc(N4CCNCC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H24FN5O3/c1-14(28)25(2)20-13-27(21(29)30-20)16-4-5-17(18(22)11-16)15-3-6-19(24-12-15)26-9-7-23-8-10-26/h3-6,11-12,20,23H,7-10,13H2,1-2H3/t20-/m0/s1
InChIKeyRJZUHWYZESREPI-FQEVSTJZSA-N
XLogP2.06
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91166814
phenyl 4-[5-[4-[(5S)-5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 90761515
N-[(5S)-3-[3-fluoro-4-[6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91142246
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
N-[3-[3-fluoro-4-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67577632
(2S)-2-[3-[3-fluoro-4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461310
N-[[3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68938305
[1-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl acetate
CID 68943816
2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461303
[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate
CID 71030717
3-[3-fluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72752230
N-[[3-[4-[6-[1-[(dimethylamino)methyl]cyclopropyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72980514

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The IUPAC name of N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide (CID 67550647) is N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The canonical SMILES for N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CN(c2ccc(-c3ccc(N4CCNCC4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The InChIKey is RJZUHWYZESREPI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-14(28)25(2)20-13-27(21(29)30-20)16-4-5-17(18(22)11-16)15-3-6-19(24-12-15)26-9-7-23-8-10-26/h3-6,11-12,20,23H,7-10,13H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide has a molecular weight of 413.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 67550647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).