5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide

C21H23FN6O6 — CID 15541044

IUPAC5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(C(N)=O)no4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23FN6O6/c1-12(29)24-10-14-11-28(21(32)33-14)13-2-3-17(15(22)8-13)26-4-6-27(7-5-26)20(31)18-9-16(19(23)30)25-34-18/h2-3,8-9,14H,4-7,10-11H2,1H3,(H2,23,30)(H,24,29)/t14-/m0/s1
InChIKeyUAGYSUDZRKVPQO-AWEZNQCLSA-N
MW474.45 g/mol
LogP0.34
Rot. Bonds6

About 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide

5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide (PubChem CID 15541044) has the molecular formula C21H23FN6O6 and a molecular weight of 474.45 g/mol. Its IUPAC name is 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide
PubChem CID15541044
Molecular FormulaC21H23FN6O6
Molecular Weight474.45 g/mol
Exact Mass474.17
IUPAC Name5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(C(N)=O)no4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23FN6O6/c1-12(29)24-10-14-11-28(21(32)33-14)13-2-3-17(15(22)8-13)26-4-6-27(7-5-26)20(31)18-9-16(19(23)30)25-34-18/h2-3,8-9,14H,4-7,10-11H2,1H3,(H2,23,30)(H,24,29)/t14-/m0/s1
InChIKeyUAGYSUDZRKVPQO-AWEZNQCLSA-N
XLogP0.34
TPSA151.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.45
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58862068
N-[[(5S)-3-[3-fluoro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58862063
N-[[(5S)-3-[4-[4-(2-aminopropanethioyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10251719
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
benzyl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
CID 67054838
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-(1,5-thiazocan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126483722
N-[[(5S)-3-[3-fluoro-4-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10693819
N-[[(5S)-3-[4-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58862053
N-[[(5S)-3-[3-fluoro-4-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10230087
N-[[(5S)-3-[4-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 166726440
5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,5-triazepane-1-carboxamide
CID 163558720

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide (CID 15541044) is 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(C(N)=O)no4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UAGYSUDZRKVPQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23FN6O6/c1-12(29)24-10-14-11-28(21(32)33-14)13-2-3-17(15(22)8-13)26-4-6-27(7-5-26)20(31)18-9-16(19(23)30)25-34-18/h2-3,8-9,14H,4-7,10-11H2,1H3,(H2,23,30)(H,24,29)/t14-/m0/s1.
What are the key properties of 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide?
5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide has a molecular weight of 474.45 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15541044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).