2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide

C23H24FN7O6S — CID 126540422

IUPAC2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(NCC(=O)NC4SC([N+](=O)[O-])=CN4C)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H24FN7O6S/c1-13(32)25-9-16-11-30(23(34)37-16)15-4-5-17(18(24)7-15)19-6-3-14(8-27-19)26-10-20(33)28-22-29(2)12-21(38-22)31(35)36/h3-8,12,16,22,26H,9-11H2,1-2H3,(H,25,32)(H,28,33)/t16-,22?/m0/s1
InChIKeyWKJPCBRVNGYCDS-CISYCMJJSA-N
MW545.55 g/mol
LogP1.91
Rot. Bonds9

About 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide

2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide (PubChem CID 126540422) has the molecular formula C23H24FN7O6S and a molecular weight of 545.55 g/mol. Its IUPAC name is 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide
PubChem CID126540422
Molecular FormulaC23H24FN7O6S
Molecular Weight545.55 g/mol
Exact Mass545.15
IUPAC Name2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(NCC(=O)NC4SC([N+](=O)[O-])=CN4C)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H24FN7O6S/c1-13(32)25-9-16-11-30(23(34)37-16)15-4-5-17(18(24)7-15)19-6-3-14(8-27-19)26-10-20(33)28-22-29(2)12-21(38-22)31(35)36/h3-8,12,16,22,26H,9-11H2,1-2H3,(H,25,32)(H,28,33)/t16-,22?/m0/s1
InChIKeyWKJPCBRVNGYCDS-CISYCMJJSA-N
XLogP1.91
TPSA159.04 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.55
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[4-[5-[(carbamoylhydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 167435308
N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045433
N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 175394522
N-[[3-[3-fluoro-4-[6-(4-methyl-5,6-dihydro-1,2,4-oxadiazin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 77140833
N-[[(5S)-3-[3-fluoro-4-[5-[[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]amino]methyl]-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70917967
N-[[(5S)-3-[3-fluoro-4-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57275013
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155016295
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide (CID 126540422) is 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(NCC(=O)NC4SC([N+](=O)[O-])=CN4C)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide?
The InChIKey is WKJPCBRVNGYCDS-CISYCMJJSA-N. The full InChI is InChI=1S/C23H24FN7O6S/c1-13(32)25-9-16-11-30(23(34)37-16)15-4-5-17(18(24)7-15)19-6-3-14(8-27-19)26-10-20(33)28-22-29(2)12-21(38-22)31(35)36/h3-8,12,16,22,26H,9-11H2,1-2H3,(H,25,32)(H,28,33)/t16-,22?/m0/s1.
What are the key properties of 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide?
2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide has a molecular weight of 545.55 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-pyridinyl]amino]-N-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 126540422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).