N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide

C25H27FN8O6 — CID 134816452

IUPACN-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide
SMILESCc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)CNC(=O)C5=CC=C([N+](=O)[O-])C5)CC4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C25H27FN8O6/c1-16-13-32(29-28-16)14-20-15-33(25(37)40-20)18-4-5-22(21(26)11-18)30-6-8-31(9-7-30)23(35)12-27-24(36)17-2-3-19(10-17)34(38)39/h2-5,11,13,20H,6-10,12,14-15H2,1H3,(H,27,36)/t20-/m0/s1
InChIKeyFXTLVYCRHAXRCJ-FQEVSTJZSA-N
MW554.54 g/mol
LogP1.01
Rot. Bonds8

About N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide

N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide (PubChem CID 134816452) has the molecular formula C25H27FN8O6 and a molecular weight of 554.54 g/mol. Its IUPAC name is N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide
PubChem CID134816452
Molecular FormulaC25H27FN8O6
Molecular Weight554.54 g/mol
Exact Mass554.20
IUPAC NameN-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide
SMILESCc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)CNC(=O)C5=CC=C([N+](=O)[O-])C5)CC4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C25H27FN8O6/c1-16-13-32(29-28-16)14-20-15-33(25(37)40-20)18-4-5-22(21(26)11-18)30-6-8-31(9-7-30)23(35)12-27-24(36)17-2-3-19(10-17)34(38)39/h2-5,11,13,20H,6-10,12,14-15H2,1H3,(H,27,36)/t20-/m0/s1
InChIKeyFXTLVYCRHAXRCJ-FQEVSTJZSA-N
XLogP1.01
TPSA156.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.54
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide with MolForge

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Related Compounds

N-[2-[4-[4-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl]-5-nitrofuran-2-carboxamide
CID 126540167
(5R)-3-[3-fluoro-4-(4-hexanoylpiperazin-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24881596
(5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 58626908
methyl 3-[(5S)-3-[3-fluoro-4-[4-[2-(pyridine-3-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 58459522
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
2,2,2-trideuterio-N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 171381822
(5R)-3-[4-[4-(2,2-dichloroacetyl)piperazin-1-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 162661201
3-[3-fluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-5-[(1-methoxyethenylamino)methyl]-1,3-oxazolidin-2-one
CID 143999520
N-[[3-[4-[4-(2-aminosulfanylacetyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 87832819
(5R)-3-[3-fluoro-4-[(1R)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 68878195
(5R)-3-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58746161

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide (CID 134816452) is N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide is Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)CNC(=O)C5=CC=C([N+](=O)[O-])C5)CC4)c(F)c3)C(=O)O2)nn1.
What is the InChIKey of N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide?
The InChIKey is FXTLVYCRHAXRCJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27FN8O6/c1-16-13-32(29-28-16)14-20-15-33(25(37)40-20)18-4-5-22(21(26)11-18)30-6-8-31(9-7-30)23(35)12-27-24(36)17-2-3-19(10-17)34(38)39/h2-5,11,13,20H,6-10,12,14-15H2,1H3,(H,27,36)/t20-/m0/s1.
What are the key properties of N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide?
N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide has a molecular weight of 554.54 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 134816452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).