[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate

C23H24FN5O6 — CID 11215546

IUPAC[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(COC(=O)CN)C4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H24FN5O6/c1-13(30)26-10-17-11-29(23(32)34-17)15-3-4-18(19(24)6-15)14-2-5-20(27-9-14)21-7-16(35-28-21)12-33-22(31)8-25/h2-6,9,16-17H,7-8,10-12,25H2,1H3,(H,26,30)/t16?,17-/m0/s1
InChIKeyFHAVYWSEBCTRGO-DJNXLDHESA-N
MW485.47 g/mol
LogP1.34
Rot. Bonds8

About [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate

[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate (PubChem CID 11215546) has the molecular formula C23H24FN5O6 and a molecular weight of 485.47 g/mol. Its IUPAC name is [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate.

Molecular Properties

Compound Name[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate
PubChem CID11215546
Molecular FormulaC23H24FN5O6
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(COC(=O)CN)C4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H24FN5O6/c1-13(30)26-10-17-11-29(23(32)34-17)15-3-4-18(19(24)6-15)14-2-5-20(27-9-14)21-7-16(35-28-21)12-33-22(31)8-25/h2-6,9,16-17H,7-8,10-12,25H2,1H3,(H,26,30)/t16?,17-/m0/s1
InChIKeyFHAVYWSEBCTRGO-DJNXLDHESA-N
XLogP1.34
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404000
N-{(S)-3-[3-Fluoro-4-((E)-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 9968540
N-{(S)-3-[3-Fluoro-4-((Z)-2-fluoro-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 10156178
E 3709
CID 130982
N-[[(5S)-3-[3-fluoro-4-[(E)-2-fluoro-2-pyridin-3-ylethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9947714
N-[[(5R)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 11055722
N-[[(5S)-3-[3-fluoro-4-(5-pyridin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44334764
N-[[(5S)-3-[3-fluoro-4-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44334765
N-[[(5S)-3-[3-fluoro-4-[6-[(E)-morpholin-4-yliminomethyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155518366
N-[[(5S)-3-[3-fluoro-4-[6-[(E)-piperazin-1-yliminomethyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155529498
N-[[(5S)-3-[3-fluoro-4-[6-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155533913
N-[[(5S)-3-[3-fluoro-4-[6-[(E)-(4-propanoylpiperazin-1-yl)iminomethyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155544276

Frequently Asked Questions

What is the IUPAC name of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate?
The IUPAC name of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate (CID 11215546) is [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate.
What is the SMILES notation for [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate?
The canonical SMILES for [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(COC(=O)CN)C4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate?
The InChIKey is FHAVYWSEBCTRGO-DJNXLDHESA-N. The full InChI is InChI=1S/C23H24FN5O6/c1-13(30)26-10-17-11-29(23(32)34-17)15-3-4-18(19(24)6-15)14-2-5-20(27-9-14)21-7-16(35-28-21)12-33-22(31)8-25/h2-6,9,16-17H,7-8,10-12,25H2,1H3,(H,26,30)/t16?,17-/m0/s1.
What are the key properties of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate?
[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate has a molecular weight of 485.47 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate is sourced from PubChem (CID 11215546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).