N-[[(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]methyl]-1H-imidazole-5-carboxamide

C26H24F2N6O6 — CID 10099172

IUPACN-[[(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]methyl]-1H-imidazole-5-carboxamide
SMILESCC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(N4C[C@H](CNC(=O)c5cnc[nH]5)OC4=O)cc3F)c(F)c2)C(=O)O1
InChIInChI=1S/C26H24F2N6O6/c1-14(35)30-8-17-11-33(25(37)39-17)15-2-4-19(21(27)6-15)20-5-3-16(7-22(20)28)34-12-18(40-26(34)38)9-31-24(36)23-10-29-13-32-23/h2-7,10,13,17-18H,8-9,11-12H2,1H3,(H,29,32)(H,30,35)(H,31,36)/t17-,18+/m1/s1
InChIKeyMFAGAEUMYBGGGZ-MSOLQXFVSA-N
MW554.51 g/mol
LogP2.57
Rot. Bonds8

About N-[[(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]methyl]-1H-imidazole-5-carboxamide

N-[[(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]methyl]-1H-imidazole-5-carboxamide (PubChem CID 10099172) has the molecular formula C26H24F2N6O6 and a molecular weight of 554.51 g/mol. Its IUPAC name is N-[[(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]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(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]methyl]-1H-imidazole-5-carboxamide
PubChem CID10099172
Molecular FormulaC26H24F2N6O6
Molecular Weight554.51 g/mol
Exact Mass554.17
IUPAC NameN-[[(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]methyl]-1H-imidazole-5-carboxamide
SMILESCC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(N4C[C@H](CNC(=O)c5cnc[nH]5)OC4=O)cc3F)c(F)c2)C(=O)O1
InChIInChI=1S/C26H24F2N6O6/c1-14(35)30-8-17-11-33(25(37)39-17)15-2-4-19(21(27)6-15)20-5-3-16(7-22(20)28)34-12-18(40-26(34)38)9-31-24(36)23-10-29-13-32-23/h2-7,10,13,17-18H,8-9,11-12H2,1H3,(H,29,32)(H,30,35)(H,31,36)/t17-,18+/m1/s1
InChIKeyMFAGAEUMYBGGGZ-MSOLQXFVSA-N
XLogP2.57
TPSA145.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.51
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[(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]methyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

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-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68773382
N-[[(5S)-3-[4-[4-[[bis(1H-imidazol-5-ylmethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403845
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
4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide
CID 23404153
N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713383
N-[[(5R)-3-[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10348392
N-[[(5R)-3-[4-[4-[(5S)-5-[(diaminomethylideneamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10345940
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 139995298
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11756137
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396

Frequently Asked Questions

What is the IUPAC name of N-[[(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]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[(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]methyl]-1H-imidazole-5-carboxamide (CID 10099172) is N-[[(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]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[(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]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[(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]methyl]-1H-imidazole-5-carboxamide is CC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(N4C[C@H](CNC(=O)c5cnc[nH]5)OC4=O)cc3F)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(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]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is MFAGAEUMYBGGGZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C26H24F2N6O6/c1-14(35)30-8-17-11-33(25(37)39-17)15-2-4-19(21(27)6-15)20-5-3-16(7-22(20)28)34-12-18(40-26(34)38)9-31-24(36)23-10-29-13-32-23/h2-7,10,13,17-18H,8-9,11-12H2,1H3,(H,29,32)(H,30,35)(H,31,36)/t17-,18+/m1/s1.
What are the key properties of N-[[(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]methyl]-1H-imidazole-5-carboxamide?
N-[[(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]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 554.51 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(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]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 10099172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).